Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 3/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.56 |
| ▸ | HTR1D | P28221 | 4/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4033870 | 0.90 | NISCH (0.69) | NISCHMAOAMAOBHTR1DTAAR1 | |
| SCHEMBL9575326 | 0.83 | NISCH (0.80) | NISCHMAOAMAOBHTR1DTAAR1 | |
| SCHEMBL5326165 | 0.81 | TAAR1 (0.68) | NISCHMAOAMAOBHTR1DTAAR1 | |
| SCHEMBL23097221 | 0.80 | HTR1D (0.60) | NISCHMAOAMAOBHTR1DTAAR1 | |
| SCHEMBL12495025 | 0.80 | RAD52 (0.57) | NISCHMAOAMAOBHTR1DTAAR1 | |
| SCHEMBL4035129 | 0.80 | NISCH (0.56) | NISCHMAOAMAOBHTR1DTAAR1 | |
| SCHEMBL9575185 | 0.80 | NISCH (0.55) | NISCHMAOAMAOBHTR1DTAAR1 | |
| SCHEMBL9575282 | 0.75 | NISCH (0.55) | NISCHMAOAMAOBHTR1DTAAR1 | |
| SCHEMBL3721781 | 0.74 | GFER (0.54) | NISCHMAOAMAOBHTR1DTAAR1 | |
| SCHEMBL11128132 | 0.73 | NISCH (0.53) | NISCHMAOAMAOBHTR1DTAAR1 |
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-2007135417-A1 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2007-11-29 | — | — | WO | claimed |
| WO-2007135417-A1 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2007-11-29 | — | — | WO | disclosed |