Add CAS COVID-19 Anti-Viral Candidate Compounds

[cmungall]

https://www.wikidata.org/wiki/Q90481889

e.g. https://www.wikidata.org/wiki/Special:WhatLinksHere/Q90481889

Example: https://www.wikidata.org/wiki/Q28209496 remdesivir

this query retrieves them:

SELECT ?v0 WHERE {?v0 <http://www.wikidata.org/prop/direct/P972> <http://www.wikidata.org/entity/Q90481889>}

but with WD IDs

With drugbank IDs:

SELECT ?c ?x WHERE {?c <http://www.wikidata.org/prop/direct/P972> <http://www.wikidata.org/entity/Q90481889> . ?c <http://www.wikidata.org/prop/direct/P715> ?x}

drugbank and chebi:

SELECT ?c ?x ?y WHERE {?c <http://www.wikidata.org/prop/direct/P972> <http://www.wikidata.org/entity/Q90481889> . ?c <http://www.wikidata.org/prop/direct/P715> ?x . ?c <http://www.wikidata.org/prop/direct/P683> ?y}

Can also do this via sparqlprog:

pq-wikidata -l -L enlabel "cas_covid_19_antiviral(C),drugbank_id(C,X),chebi_id(C,Y)"
wd:Q987691,13421,135051,edoxudine,$null$,$null$
wd:Q2741362,03800,17622,Deoxyuridine monophosphate,$null$,$null$
wd:Q370244,00705,119573,delavirdine,$null$,$null$
wd:Q19462214,09183,85182,dasabuvir,$null$,$null$
wd:Q419140,02256,16450,deoxyuridine,$null$,$null$
wd:Q4811881,11586,134723,asunaprevir,$null$,$null$
wd:Q414143,00441,175901,gemcitabine,$null$,$null$
wd:Q27271599,13609,134730,umifenovir,$null$,$null$
wd:Q27089034,03172,48267,tubercidin,$null$,$null$

[justaddcoffee]

This seems to come from CORD-19 and I think therefore has this license attached to it: https://www.cas.org/sites/default/files/documents/CAS-COVID19-Dataset-terms0420.pdf

Thinking about how to ingest this, as a first pass we could use the CHEBI ID and do a xref to the DRUGBANK (or other) IDs, and add this edge for each: CHEBI:12345 biolink:subclass_of CHEBI:36044 # <-- CHEBI term for anti-viral

@deepakunni3 @cmungall what do you think?

[justaddcoffee]

Per convo with Chris, probably better to do something like this: CHEBI:12345 -> negatively regulates -> NCBI: 10239 # <<--- taxid for viruses