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 | |
|---|---|---|---|---|
| SCHEMBL8308623 | 0.88 | — | — | |
| Choline SCHEMBL8311472 | 0.88 | — | — | |
| Choline SCHEMBL7506069 | 0.76 | — | — | |
| Choline SCHEMBL7511218 | 0.73 | — | — | |
| Choline SCHEMBL7507525 | 0.71 | — | — | |
| Choline SCHEMBL7501978 | 0.69 | LMNA (0.30) | — | |
| Choline SCHEMBL7508370 | 0.65 | DAO (0.32) | — | |
| Choline SCHEMBL7505520 | 0.65 | — | — | |
| Choline SCHEMBL7501743 | 0.65 | ATM (0.33) | — | |
| Choline SCHEMBL1932257 | 0.62 | DAO (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0931081-A1 | PYRIDAZINO 4,5-B]-QUINOLINE 5-OXIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS GLYCINE ANTAGONISTS | MERZ + CO. GmbH & Co. (DE) | 1999-07-28 | — | — | EP | claimed |
| WO-1998004556-A1 | PYRIDAZINO [4,5-B]-QUINOLINE 5-OXIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS GLYCINE ANTAGONISTS | MERZ + CO. GMBH & CO. (DE) | 1998-02-05 | — | — | WO | claimed |