Align roles with MESH and other descriptor vocabularies used in DrugBank etc

[cmungall]

Example MESH descriptors for Imatinib in DrugBank:

ID	Label
id:mesh/D000146	Acids, Carbocyclic
id:mesh/D000577	Amides
id:mesh/D000970	Antineoplastic Agents
id:mesh/D001549	Benzamides and benzamide derivatives
id:mesh/D001555	Benzene Derivatives
id:mesh/D001565	Benzoates
id:mesh/D002264	Carboxylic Acids
id:mesh/D004791	Enzyme Inhibitors
id:mesh/D006571	Heterocyclic Compounds
id:mesh/D006573	Heterocyclic Compounds, 1-Ring
id:mesh/D006838	Hydrocarbons
id:mesh/D006841	Hydrocarbons, Aromatic
id:mesh/D006844	Hydrocarbons, Cyclic
id:mesh/D007166	Immunosuppressive Agents
id:mesh/D010879	Piperazines
id:mesh/D011743	Pyrimidines
id:mesh/D047428	Protein Kinase Inhibitors
id:mesh/D065607	Cytochrome P-450 Enzyme Inhibitors
id:mesh/D065690	Cytochrome P-450 CYP2D6 Inhibitors
id:mesh/D065692	Cytochrome P-450 CYP3A Inhibitors
id:mesh/D065692	Cytochrome P-450 CYP3A4 Inhibitors
id:mesh/D065692	Cytochrome P-450 CYP3A5 Inhibitors
id:mesh/D065692	Cytochrome P-450 CYP3A7 Inhibitors

I believe many/all could be mapped to CHEBI roles. This would be very powerful as it would allow us to (a) compare role assignments in CHEBI with role assignments in other databases like DrugBank (b) GO from DrugBank drugs to OBO classes, e.g. Imatinib-[inhibits]->GO:kinase activity. cc @cbizon @balhoff

We could also include these in mychem cc @newgene

I think these will be useful for IDG cc @pnrobinson @realmarcin @deepakunni3

btw, I am getting the drugbank-to-mesh associations via the Dumontierlab biolink-compliant triplestore http://graphdb.dumontierlab.com/repositories/ncats-red-kg provided by @vemonet

Example query:

SELECT ?x ?y ?g ?v0 ?v1 ?v2 WHERE {?x <http://w3id.org/biolink/vocab/name> ?v3 . FILTER (?v3 = "Imatinib") . GRAPH ?g {?x <http://w3id.org/biolink/vocab/category> ?y} . OPTIONAL {?x <http://w3id.org/biolink/vocab/name> ?v0} . OPTIONAL {?y <http://w3id.org/biolink/vocab/name> ?v1} . OPTIONAL {?g <http://w3id.org/biolink/vocab/name> ?v2}}

[cmungall]

Note that many of the above are not actually modeled as roles; here is how it breaks down:

We would focus on the 'chemical actions and uses' hierarchy, but it may be the case many things MESH classifies as chemicals may actually be classified as roles in CHEBI

[cbizon]

+1 I think this would be incredibly powerful.