Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5346677 | 0.90 | TAAR1 (0.36) | TAAR1HTR1A | |
| SCHEMBL4779370 | 0.84 | TAAR1 (0.35) | TAAR1HTR1ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5357336 | 0.78 | TAAR1 (0.34) | TAAR1HTR1A | |
| SCHEMBL4778360 | 0.73 | TAAR1 (0.38) | TAAR1HTR1ACYP2D6 | |
| SCHEMBL4723409 | 0.72 | AGTR1 (0.35) | CYP2D6 | |
| SCHEMBL4722599 | 0.71 | CSNK1D (0.33) | CYP2D6 | |
| SCHEMBL4774131 | 0.71 | TAAR1 (0.37) | TAAR1HTR1ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4722714 | 0.69 | KCNA5 (0.33) | TAAR1CYP2D6 | |
| SCHEMBL4765598 | 0.68 | HTT (0.40) | TAAR1HTR1ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4720063 | 0.67 | UTS2R (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007135350-A1 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2007-11-29 | — | — | WO | disclosed |