obo-relations icon indicating copy to clipboard operation
obo-relations copied to clipboard

NTR: Add pharmacological relations for small molecules

Open cthoyt opened this issue 3 years ago • 0 comments

Closes #371

Motivation

is ligand of and has ligand don't say enough about the way that a chemical acts on a receptor. For ChIRO and the Chemical Roles Graph (https://github.com/chemical-roles/chemical-roles), we need more detailed relationships.

What this PR does

This PR creates 7 new properties:

LUID Name Parent(s)
0018027 is agonist of is ligand, is small molecule activator of
0018028 is ligand
0018029 is antagonist of is ligand, is small molecule inhibitor of
0018030 is inverse agonist of is ligand
0018031 has agonist has ligand, has small molecule activator
0018032 has antagonist has ligand, has small molecule inhibitor
0018033 has inverse agonist has ligand

Notes:

  • this adds both directions of this hierarchy, and to do this, introduces is ligand defined as inverse of has ligand
  • doesn't (yet) categorize "is inverse agonist of" under "is small molecule inhibitor of" but that can be done

The inverse tree under "has participants" mirrors the structure set by @pgaudet in #369.

cthoyt avatar Sep 09 '22 22:09 cthoyt