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I'd like to use ChEBI to determine which molecular entities could be considered "taxanes", in the informal language that physicians use.

The Anatomical and Therapeutic Classification places both docetaxel and paclitaxel in class L01CD "Taxanes", but in ChEBI the paths include both subclass relations and 'has parent hydride' some 'taxane' relations, from an OWL perspective. The following SPARQL finds both docetaxel and paclitaxel

PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#>
PREFIX owl: <http://www.w3.org/2002/07/owl#>
select * where { 
    ?drug (rdfs:subClassOf|owl:someValuesFrom)*
        <http://purl.obolibrary.org/obo/CHEBI_36064> .
    optional {
        ?drug rdfs:label ?l .
    }
} 
order by ?l

I'm not explicitly requiring here that the owl:someValuesFrom predicate is applied to an owl:Restiction in the rdfs:subClassOf path. How could I limit this query so that only certain owl:onPropertys (like 'has parent hydride') are allowed in combination with that implicit owl:Restriction?

I'm afraid that this query is dangerously under specified as it is.

Mark Miller
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    Do you mean something like: `?x rdfs:subClassOf [ owl:onProperty ; owl:someValuesFrom ?y ] .` but where the someValueFrom could be a nesting of restrictions that eventually ends with `:CHEBI_36064`? – Antoine Zimmermann Feb 04 '21 at 13:17
  • @AntoineZimmermann that sounds right. I know that the ChEBI paths from docetaxel or paclitaxel to taxane just include`rdfs:subClassOf` and `owl:someValuesFrom` relations. I would like to generalize that pattern (and possibly traverse `owl:intersection`s as well.) I'm confident that the attributes of taxanes are transitive over 'has parent hydride' `owl:onProperty` restrictions, but I would like to filter or at least report all other `owl:onProperty`s that could be nested/chained together. There are probably `owl:onProperty`s over which the taxane properties wouldn't be inherited. – Mark Miller Feb 04 '21 at 19:37

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