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.
Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 SCHEMBL7508370 | 0.89 | DAO (0.32) | — | |
| SCHEMBL7502306 | 0.88 | DAO (0.35) | LMNAHTTNPSR1 | |
| Choline SCHEMBL7505520 | 0.88 | — | — | |
| Choline SCHEMBL7506069 | 0.88 | — | — | |
| Choline SCHEMBL7501743 | 0.87 | ATM (0.33) | — | |
| Choline SCHEMBL7507525 | 0.84 | — | — | |
| Choline SCHEMBL7511218 | 0.84 | — | — | |
| Choline SCHEMBL1932257 | 0.84 | DAO (0.33) | — | |
| Choline SCHEMBL7512046 | 0.82 | — | — | |
| SCHEMBL7504185 | 0.76 | DAO (0.36) | — |
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-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 |
| 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 |