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ChEBI to ChEMBL mapping - unresolved cases #3265

Closed prashantuniyal02 closed 3 months ago

prashantuniyal02 commented 6 months ago

With the ChEBI to ChEMBL solution, we have mapped 90% of the high confidence evidence. #3116

The outstanding cases are due to 7 ChEBIs. This is an example shared by @d0choa and Ellie: image

For this case we do have a ChEBI cross reference, but it point to slightly different molecules: PharmGKB points to CHEBI:10033, the parent structure for warfarin. ChEMBL points to CHEBI:87732, a stereoisomer. PharmGKB's mapping looks more sensible to me, so I'll ask ChEMBL about it.

Independently, my hypothesis is that we can get a full coverage just by using the drug name.

Originally posted by @ireneisdoomed in https://github.com/opentargets/issues/issues/3116#issuecomment-1835889128

prashantuniyal02 commented 5 months ago

Hi @ireneisdoomed, has this been resolved?

ireneisdoomed commented 3 months ago

We have phased out ChEBI IDs and we now use their names. The above examples are all mapped now.