Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 3/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 7/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.45 |
| ▸ | ACHE | P22303 | 3/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 3/20 | 0.41 |
| ▸ | DRD4 | P21917 | 3/20 | 0.41 |
| ▸ | DRD3 | P35462 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5320501 | 0.85 | CES2 (0.41) | OPRL1OPRM1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5325094 | 0.85 | CES2 (0.41) | OPRL1OPRM1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5321802 | 0.85 | CES2 (0.41) | OPRL1OPRM1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5324581 | 0.85 | CES2 (0.41) | OPRL1OPRM1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5324527 | 0.85 | CES2 (0.41) | OPRL1OPRM1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5322937 | 0.84 | MBTD1 (0.40) | CHRM3ACHEOPRM1CYP3A4CYP2C9 | |
| SCHEMBL5321156 | 0.81 | CYP2D6 (0.39) | CYP2D6CYP2C19CES2 | |
| SCHEMBL5321151 | 0.81 | CYP2D6 (0.39) | CYP2D6CYP2C19CES2 | |
| SCHEMBL5287497 | 0.81 | PTH1R (0.50) | — | |
| SCHEMBL5349862 | 0.80 | L3MBTL3 (0.46) | ACHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006129120-A9 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2007-03-22 | — | — | WO | disclosed |
| WO-2006129120-A2 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2006-12-07 | — | — | WO | disclosed |