Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3GNRHRMPLPDE3APDE3BPDE4APDE4BPDE4CPDE4DPPARASLC5A2
The experimentally established mechanism targets of Choline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Choline SCHEMBL7507525 | 0.96 | — | — | |
| Choline SCHEMBL7506069 | 0.92 | — | — | |
| SCHEMBL7499243 | 0.89 | — | — | |
| SCHEMBL7506993 | 0.84 | — | — | |
| Choline SCHEMBL7501978 | 0.84 | LMNA (0.30) | — | |
| Choline SCHEMBL7505520 | 0.84 | — | — | |
| Choline SCHEMBL7512046 | 0.83 | — | — | |
| Choline SCHEMBL7508370 | 0.81 | DAO (0.32) | — | |
| Choline SCHEMBL7501743 | 0.81 | ATM (0.33) | — | |
| Choline SCHEMBL8313700 | 0.73 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0931081-B1 | PYRIDAZINO 4,5-B]-QUINOLINE 5-OXIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS GLYCINE ANTAGONISTS | MERZ & CO GMBH & CO (DE) | 2002-09-25 | — | — | EP | claimed |
| US-5776935-A | ANTAGONISTS OF STRYCHNINE-INSENSITIVE GLYCINE SITE OF N-METHYLASPARTIC ACID RECEPTOR | MERZ & CO. GMBH & CO. (DE) | 1998-07-07 | — | — | US | claimed |
| EP-0931081-B1 | PYRIDAZINO 4,5-B]-QUINOLINE 5-OXIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS GLYCINE ANTAGONISTS | MERZ & CO GMBH & CO (DE) | 2002-09-25 | — | — | EP | disclosed |
| US-5776935-A | ANTAGONISTS OF STRYCHNINE-INSENSITIVE GLYCINE SITE OF N-METHYLASPARTIC ACID RECEPTOR | MERZ & CO. GMBH & CO. (DE) | 1998-07-07 | — | — | US | disclosed |