Pathway#

lamindb provides access to the following public protein ontologies through lnschema-bionty:

  1. Gene Ontology

  2. Pathway Ontology

Here we show how to access and search pathway ontologies to standardize new data.

Setup#

!lamin init --storage ./test-pathway --schema bionty
βœ… saved: User(uid='DzTjkKse', handle='testuser1', name='Test User1', updated_at=2024-01-12 06:16:07 UTC)
βœ… saved: Storage(uid='px2Mi0rx', root='/home/runner/work/lamin-usecases/lamin-usecases/docs/test-pathway', type='local', updated_at=2024-01-12 06:16:07 UTC, created_by_id=1)
πŸ’‘ loaded instance: testuser1/test-pathway
πŸ’‘ did not register local instance on hub
import lnschema_bionty as lb
import pandas as pd

PublicOntology objects#

Let us create a public ontology accessor with public(), which chooses a default public ontology source from PublicSource. It’s a PublicOntology object, which you can think about as a public registry:

public = lb.Pathway.public()
public
πŸ’‘ loaded instance: testuser1/test-pathway
Pathway
Organism: all
Source: go, 2023-05-10
#terms: 47514

πŸ“– Pathway.df(): ontology reference table
πŸ”Ž Pathway.lookup(): autocompletion of terms
🎯 Pathway.search(): free text search of terms
βœ… Pathway.validate(): strictly validate values
🧐 Pathway.inspect(): full inspection of values
πŸ‘½ Pathway.standardize(): convert to standardized names
πŸͺœ Pathway.diff(): difference between two versions
πŸ”— Pathway.ontology: Pronto.Ontology object

As for registries, you can export the ontology as a DataFrame:

df = public.df()
df.head()
name definition synonyms parents
ontology_id
GO:0000001 mitochondrion inheritance The Distribution Of Mitochondria, Including Th... mitochondrial inheritance [GO:0048308, GO:0048311]
GO:0000002 mitochondrial genome maintenance The Maintenance Of The Structure And Integrity... None [GO:0007005]
GO:0000003 reproduction The Production Of New Individuals That Contain... reproductive physiological process [GO:0008150]
GO:0000005 obsolete ribosomal chaperone activity Obsolete. Assists In The Correct Assembly Of R... ribosomal chaperone activity []
GO:0000006 high-affinity zinc transmembrane transporter a... Enables The Transfer Of Zinc Ions (Zn2+) From ... high affinity zinc uptake transmembrane transp... [GO:0005385]

Unlike registries, you can also export it as a Pronto object via public.ontology.

Look up terms#

As for registries, terms can be looked up with auto-complete:

lookup = public.lookup()

The . accessor provides normalized terms (lower case, only contains alphanumeric characters and underscores):

lookup.acetyl_coa_assimilation_pathway
Pathway(ontology_id='GO:0019681', name='acetyl-CoA assimilation pathway', definition='The Pathways By Which Acetyl-Coa Is Processed And Converted Into Alpha-Ketoglutarate (2-Oxoglutarate); Methanogenic Archaea Use These Pathways To Assimilate Acetyl-Coa Into The Cell.', synonyms='acetyl-CoA catabolic process to alpha-ketoglutarate|acetyl-CoA catabolism to 2-ketoglutarate|acetyl-CoA catabolism to 2-oxoglutarate|acetyl-CoA catabolic process to 2-oxoglutarate|acetyl-CoA catabolism to alpha-ketoglutarate|acetyl-CoA catabolic process to 2-ketoglutarate|acetyl-CoA catabolic process to alpha-oxoglutarate|acetyl-CoA catabolism to alpha-oxoglutarate', parents=array(['GO:0046356', 'GO:0006103'], dtype=object))

To look up the exact original strings, convert the lookup object to dict and use the [] accessor:

lookup_dict = lookup.dict()
lookup_dict["acetyl-CoA assimilation pathway"]
Pathway(ontology_id='GO:0019681', name='acetyl-CoA assimilation pathway', definition='The Pathways By Which Acetyl-Coa Is Processed And Converted Into Alpha-Ketoglutarate (2-Oxoglutarate); Methanogenic Archaea Use These Pathways To Assimilate Acetyl-Coa Into The Cell.', synonyms='acetyl-CoA catabolic process to alpha-ketoglutarate|acetyl-CoA catabolism to 2-ketoglutarate|acetyl-CoA catabolism to 2-oxoglutarate|acetyl-CoA catabolic process to 2-oxoglutarate|acetyl-CoA catabolism to alpha-ketoglutarate|acetyl-CoA catabolic process to 2-ketoglutarate|acetyl-CoA catabolic process to alpha-oxoglutarate|acetyl-CoA catabolism to alpha-oxoglutarate', parents=array(['GO:0046356', 'GO:0006103'], dtype=object))

By default, the name field is used to generate lookup keys. You can specify another field to look up:

lookup = public.lookup(public.ontology_id)
lookup.go_0019681
Pathway(ontology_id='GO:0019681', name='acetyl-CoA assimilation pathway', definition='The Pathways By Which Acetyl-Coa Is Processed And Converted Into Alpha-Ketoglutarate (2-Oxoglutarate); Methanogenic Archaea Use These Pathways To Assimilate Acetyl-Coa Into The Cell.', synonyms='acetyl-CoA catabolic process to alpha-ketoglutarate|acetyl-CoA catabolism to 2-ketoglutarate|acetyl-CoA catabolism to 2-oxoglutarate|acetyl-CoA catabolic process to 2-oxoglutarate|acetyl-CoA catabolism to alpha-ketoglutarate|acetyl-CoA catabolic process to 2-ketoglutarate|acetyl-CoA catabolic process to alpha-oxoglutarate|acetyl-CoA catabolism to alpha-oxoglutarate', parents=array(['GO:0046356', 'GO:0006103'], dtype=object))

Search terms#

Search behaves in the same way as it does for registries:

public.search("acetyl coa assimilation").head(3)
ontology_id definition synonyms parents __ratio__
name
acetyl-CoA assimilation pathway GO:0019681 The Pathways By Which Acetyl-Coa Is Processed ... acetyl-CoA catabolic process to alpha-ketoglut... [GO:0046356, GO:0006103] 85.185185
acetyl-CoA biosynthetic process GO:0006085 The Chemical Reactions And Pathways Resulting ... acetyl-CoA anabolism|acetyl-CoA synthesis|acet... [GO:0071616, GO:0006084] 79.069767
acetyl-CoA catabolic process GO:0046356 The Chemical Reactions And Pathways Resulting ... acetyl-CoA catabolism|acetyl-CoA breakdown|ace... [GO:0044273, GO:0006084, GO:0009154, GO:003403... 75.555556

By default, search also covers synonyms:

public.search("acetyl-CoA catabolism").head(1)
ontology_id definition synonyms parents __ratio__
name
acetyl-CoA catabolic process GO:0046356 The Chemical Reactions And Pathways Resulting ... acetyl-CoA catabolism|acetyl-CoA breakdown|ace... [GO:0044273, GO:0006084, GO:0009154, GO:003403... 100.0

Search another field (default is .name):

public.search(
    "Chemical reactions and pathways resulting in the breakdown of Cinnamic Acid,"
    " 3-Phenyl-2-Propenoic Acid.",
    field=public.definition,
).head()
ontology_id name synonyms parents __ratio__
definition
The Chemical Reactions And Pathways Resulting In The Breakdown Of Cinnamic Acid, 3-Phenyl-2-Propenoic Acid. GO:0046281 cinnamic acid catabolic process cinnamic acid catabolism|phenylacrylic acid ca... [GO:0120256, GO:0046271, GO:0009803, GO:0072329] 98.076923
The Chemical Reactions And Pathways Resulting In The Formation Of Cinnamic Acid, 3-Phenyl-2-Propenoic Acid. GO:0009800 cinnamic acid biosynthetic process cinnamylic acid biosynthesis|cinnamic acid ana... [GO:0009699, GO:0009803, GO:0120255, GO:0072330] 93.269231
The Chemical Reactions And Pathways Resulting In The Breakdown Of Ester Derivatives Of Cinnamic Acid, Phenylpropenoic Acid. GO:0046282 cinnamic acid ester catabolic process cinnamic acid ester breakdown|cinnamic acid es... [GO:0120256, GO:0046271, GO:0009801] 86.607143
The Chemical Reactions And Pathways Resulting In The Breakdown Of Phenylalanine, 2-Amino-3-Phenylpropanoic Acid. GO:0006559 L-phenylalanine catabolic process L-phenylalanine degradation|L-phenylalanine ca... [GO:0006558, GO:1902222, GO:0009074] 84.507042
The Chemical Reactions And Pathways Resulting In The Breakdown Of Alanine, 2-Aminopropanoic Acid. GO:0006524 alanine catabolic process alanine breakdown|alanine catabolism|alanine d... [GO:0009080, GO:0006522] 82.828283

Standardize pathway identifiers#

Let us generate a DataFrame that stores a number of pathway identifiers, some of which are corrupted:

df_orig = pd.DataFrame(
    index=[
        "GO:1905210",
        "GO:1905211",
        "GO:1905212",
        "GO:1905208",
        "This pathway does not exist",
    ]
)
df_orig
GO:1905210
GO:1905211
GO:1905212
GO:1905208
This pathway does not exist

We can check whether any of our values are validated against the ontology reference:

validated = public.validate(df_orig.index, public.ontology_id)
df_orig.index[~validated]
βœ… 4 terms (80.00%) are validated
❗ 1 term (20.00%) is not validated: This pathway does not exist
Index(['This pathway does not exist'], dtype='object')

Ontology source versions#

For any given entity, we can choose from a number of versions:

lb.PublicSource.filter(entity="Pathway").df()
uid entity organism currently_used source source_name version url md5 source_website created_at updated_at created_by_id
id
44 48aa Pathway all True go Gene Ontology 2023-05-10 https://data.bioontology.org/ontologies/GO/sub... e9845499eadaef2418f464cd7e9ac92e http://geneontology.org 2024-01-12 06:16:07.455218+00:00 2024-01-12 06:16:07.455227+00:00 1
45 QfYh Pathway all False pw Pathway Ontology 7.79 https://data.bioontology.org/ontologies/PW/sub... 02e2337bb1ab7cc4332ef6acc4cbdfa6 https://www.ebi.ac.uk/ols/ontologies/pw 2024-01-12 06:16:07.455317+00:00 2024-01-12 06:16:07.455326+00:00 1

When instantiating a Bionty object, we can choose a source or version:

public_source = lb.PublicSource.filter(
    source="go", version="2023-05-10", organism="all"
).one()
public = lb.Pathway.public(public_source=public_source)
public
Pathway
Organism: all
Source: go, 2023-05-10
#terms: 47514

πŸ“– Pathway.df(): ontology reference table
πŸ”Ž Pathway.lookup(): autocompletion of terms
🎯 Pathway.search(): free text search of terms
βœ… Pathway.validate(): strictly validate values
🧐 Pathway.inspect(): full inspection of values
πŸ‘½ Pathway.standardize(): convert to standardized names
πŸͺœ Pathway.diff(): difference between two versions
πŸ”— Pathway.ontology: Pronto.Ontology object

The currently used ontologies can be displayed using:

lb.PublicSource.filter(currently_used=True).df()
Hide code cell output
uid entity organism currently_used source source_name version url md5 source_website created_at updated_at created_by_id
id
1 6IUo Organism vertebrates True ensembl Ensembl release-110 https://ftp.ensembl.org/pub/release-110/specie... f3faf95648d3a2b50fd3625456739706 https://www.ensembl.org 2024-01-12 06:16:07.450786+00:00 2024-01-12 06:16:07.450813+00:00 1
4 2Jzh Organism bacteria True ensembl Ensembl release-57 https://ftp.ensemblgenomes.ebi.ac.uk/pub/bacte... ee28510ed5586ea7ab4495717c96efc8 https://www.ensembl.org 2024-01-12 06:16:07.451139+00:00 2024-01-12 06:16:07.451149+00:00 1
5 1kdI Organism fungi True ensembl Ensembl release-57 http://ftp.ensemblgenomes.org/pub/fungi/releas... dbcde58f4396ab8b2480f7fe9f83df8a https://www.ensembl.org 2024-01-12 06:16:07.451239+00:00 2024-01-12 06:16:07.451249+00:00 1
6 2mIM Organism metazoa True ensembl Ensembl release-57 http://ftp.ensemblgenomes.org/pub/metazoa/rele... 424636a574fec078a61cbdddb05f9132 https://www.ensembl.org 2024-01-12 06:16:07.451341+00:00 2024-01-12 06:16:07.451350+00:00 1
7 2XQ6 Organism plants True ensembl Ensembl release-57 https://ftp.ensemblgenomes.ebi.ac.uk/pub/plant... eadaa1f3e527e4c3940c90c7fa5c8bf4 https://www.ensembl.org 2024-01-12 06:16:07.451442+00:00 2024-01-12 06:16:07.451451+00:00 1
8 1Vzs Organism all True ncbitaxon NCBItaxon Ontology 2023-06-20 s3://bionty-assets/df_all__ncbitaxon__2023-06-... 00d97ba65627f1cd65636d2df22ea76c https://github.com/obophenotype/ncbitaxon 2024-01-12 06:16:07.451544+00:00 2024-01-12 06:16:07.451555+00:00 1
9 4yVc Gene human True ensembl Ensembl release-110 s3://bionty-assets/df_human__ensembl__release-... 832f3947e83664588d419608a469b528 https://www.ensembl.org 2024-01-12 06:16:07.451647+00:00 2024-01-12 06:16:07.451657+00:00 1
11 2akp Gene mouse True ensembl Ensembl release-110 s3://bionty-assets/df_mouse__ensembl__release-... fa4ce130f2929aefd7ac3bc8eaf0c4de https://www.ensembl.org 2024-01-12 06:16:07.451852+00:00 2024-01-12 06:16:07.451861+00:00 1
13 2UvD Gene saccharomyces cerevisiae True ensembl Ensembl release-110 s3://bionty-assets/df_saccharomyces cerevisiae... 2e59495a3e87ea6575e408697dd73459 https://www.ensembl.org 2024-01-12 06:16:07.452054+00:00 2024-01-12 06:16:07.452063+00:00 1
14 7llW Protein human True uniprot Uniprot 2023-03 s3://bionty-assets/df_human__uniprot__2023-03_... 1c46e85c6faf5eff3de5b4e1e4edc4d3 https://www.uniprot.org 2024-01-12 06:16:07.452154+00:00 2024-01-12 06:16:07.452163+00:00 1
16 5U7J Protein mouse True uniprot Uniprot 2023-03 s3://bionty-assets/df_mouse__uniprot__2023-03_... 9d5e9a8225011d3218e10f9bbb96a46c https://www.uniprot.org 2024-01-12 06:16:07.452355+00:00 2024-01-12 06:16:07.452364+00:00 1
18 5nkB CellMarker human True cellmarker CellMarker 2.0 s3://bionty-assets/human_cellmarker_2.0_CellMa... d565d4a542a5c7e7a06255975358e4f4 http://bio-bigdata.hrbmu.edu.cn/CellMarker 2024-01-12 06:16:07.452555+00:00 2024-01-12 06:16:07.452564+00:00 1
19 6AFz CellMarker mouse True cellmarker CellMarker 2.0 s3://bionty-assets/mouse_cellmarker_2.0_CellMa... 189586732c63be949e40dfa6a3636105 http://bio-bigdata.hrbmu.edu.cn/CellMarker 2024-01-12 06:16:07.452654+00:00 2024-01-12 06:16:07.452663+00:00 1
20 6cbC CellLine all True clo Cell Line Ontology 2022-03-21 https://data.bioontology.org/ontologies/CLO/su... ea58a1010b7e745702a8397a526b3a33 https://bioportal.bioontology.org/ontologies/CLO 2024-01-12 06:16:07.452754+00:00 2024-01-12 06:16:07.452764+00:00 1
21 6tvq CellType all True cl Cell Ontology 2023-08-24 http://purl.obolibrary.org/obo/cl/releases/202... 46e7dd89421f1255cf0191eca1548f73 https://obophenotype.github.io/cell-ontology 2024-01-12 06:16:07.452854+00:00 2024-01-12 06:16:07.452863+00:00 1
25 1PY3 Tissue all True uberon Uberon multi-species anatomy ontology 2023-09-05 http://purl.obolibrary.org/obo/uberon/releases... abcee3ede566d1311d758b853ccdf5aa http://obophenotype.github.io/uberon 2024-01-12 06:16:07.453254+00:00 2024-01-12 06:16:07.453263+00:00 1
29 6EOm Disease all True mondo Mondo Disease Ontology 2023-08-02 http://purl.obolibrary.org/obo/mondo/releases/... 7f33767422042eec29f08b501fc851db https://mondo.monarchinitiative.org 2024-01-12 06:16:07.453687+00:00 2024-01-12 06:16:07.453696+00:00 1
33 3V9D Disease human True doid Human Disease Ontology 2023-03-31 http://purl.obolibrary.org/obo/doid/releases/2... 64f083a1e47867c307c8eae308afc3bb https://disease-ontology.org 2024-01-12 06:16:07.454112+00:00 2024-01-12 06:16:07.454122+00:00 1
35 6fKX ExperimentalFactor all True efo The Experimental Factor Ontology 3.57.0 http://www.ebi.ac.uk/efo/releases/v3.57.0/efo.owl 2ecafc69b3aba7bdb31ad99438505c05 https://bioportal.bioontology.org/ontologies/EFO 2024-01-12 06:16:07.454318+00:00 2024-01-12 06:16:07.454328+00:00 1
37 6jHz Phenotype human True hp Human Phenotype Ontology 2023-06-17 https://github.com/obophenotype/human-phenotyp... 65e8d96bc81deb893163927063b10c06 https://hpo.jax.org 2024-01-12 06:16:07.454519+00:00 2024-01-12 06:16:07.454528+00:00 1
40 4q5A Phenotype mammalian True mp Mammalian Phenotype Ontology 2023-05-31 https://github.com/mgijax/mammalian-phenotype-... be89052cf6d9c0b6197038fe347ef293 https://github.com/mgijax/mammalian-phenotype-... 2024-01-12 06:16:07.454819+00:00 2024-01-12 06:16:07.454828+00:00 1
41 6Czy Phenotype zebrafish True zp Zebrafish Phenotype Ontology 2022-12-17 https://github.com/obophenotype/zebrafish-phen... 03430b567bf153216c0fa4c3440b3b24 https://github.com/obophenotype/zebrafish-phen... 2024-01-12 06:16:07.454918+00:00 2024-01-12 06:16:07.454927+00:00 1
43 55lY Phenotype all True pato Phenotype And Trait Ontology 2023-05-18 http://purl.obolibrary.org/obo/pato/releases/2... bd472f4971492109493d4ad8a779a8dd https://github.com/pato-ontology/pato 2024-01-12 06:16:07.455118+00:00 2024-01-12 06:16:07.455127+00:00 1
44 48aa Pathway all True go Gene Ontology 2023-05-10 https://data.bioontology.org/ontologies/GO/sub... e9845499eadaef2418f464cd7e9ac92e http://geneontology.org 2024-01-12 06:16:07.455218+00:00 2024-01-12 06:16:07.455227+00:00 1
46 3rm9 BFXPipeline all True lamin Bioinformatics Pipeline 1.0.0 s3://bionty-assets/bfxpipelines.json a7eff57a256994692fba46e0199ffc94 https://lamin.ai 2024-01-12 06:16:07.455416+00:00 2024-01-12 06:16:07.455425+00:00 1
47 3TI0 Drug all True dron Drug Ontology 2023-03-10 https://data.bioontology.org/ontologies/DRON/s... 75e86011158fae76bb46d96662a33ba3 https://bioportal.bioontology.org/ontologies/DRON 2024-01-12 06:16:07.455515+00:00 2024-01-12 06:16:07.455524+00:00 1
48 7CRn DevelopmentalStage human True hsapdv Human Developmental Stages 2020-03-10 http://aber-owl.net/media/ontologies/HSAPDV/11... 52181d59df84578ed69214a5cb614036 https://github.com/obophenotype/developmental-... 2024-01-12 06:16:07.455614+00:00 2024-01-12 06:16:07.455623+00:00 1
49 16tR DevelopmentalStage mouse True mmusdv Mouse Developmental Stages 2020-03-10 http://aber-owl.net/media/ontologies/MMUSDV/9/... 5bef72395d853c7f65450e6c2a1fc653 https://github.com/obophenotype/developmental-... 2024-01-12 06:16:07.455713+00:00 2024-01-12 06:16:07.455722+00:00 1
50 3Tlc Ethnicity human True hancestro Human Ancestry Ontology 3.0 https://github.com/EBISPOT/hancestro/raw/3.0/h... 76dd9efda9c2abd4bc32fc57c0b755dd https://github.com/EBISPOT/hancestro 2024-01-12 06:16:07.455812+00:00 2024-01-12 06:16:07.455821+00:00 1
51 5JnV BioSample all True ncbi NCBI BioSample attributes 2023-09 s3://bionty-assets/df_all__ncbi__2023-09__BioS... 918db9bd1734b97c596c67d9654a4126 https://www.ncbi.nlm.nih.gov/biosample/docs/at... 2024-01-12 06:16:07.455911+00:00 2024-01-12 06:16:07.455920+00:00 1
Hide code cell content
!lamin delete --force test-pathway
!rm -r test-pathway
πŸ’‘ deleting instance testuser1/test-pathway
βœ…     deleted instance settings file: /home/runner/.lamin/instance--testuser1--test-pathway.env
βœ…     instance cache deleted
βœ…     deleted '.lndb' sqlite file
❗     consider manually deleting your stored data: /home/runner/work/lamin-usecases/lamin-usecases/docs/test-pathway