Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL12228878 | 0.85 | CYP2A6 (0.32) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2D6 | |
| SCHEMBL30295292 | 0.79 | CYP2A6 (0.34) | CYP2A6CYP2B6 | |
| SCHEMBL9885338 | 0.79 | ALDH1A1 (0.35) | CYP2A6CYP2B6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL129408 | 0.67 | — | — | |
| SCHEMBL21720357 | 0.66 | — | — | |
| SCHEMBL50659 | 0.66 | ALDH1A1 (0.38) | CYP3A4CYP2C9 | |
| SCHEMBL12228850 | 0.63 | PGR (0.33) | — | |
| SCHEMBL22020286 | 0.63 | — | — | |
| SCHEMBL13879062 | 0.62 | CYP2A6 (0.62) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2D6 | |
| SCHEMBL874172 | 0.62 | CASR (0.53) | CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1937230-A4 | M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS | GLAXO GROUP LTD (GB) | 2009-08-26 | — | — | EP | disclosed |
| EP-1937230-A2 | M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2008-07-02 | — | — | EP | disclosed |
| WO-2007016650-A2 | M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2007-02-08 | — | — | WO | disclosed |