Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 7/20 | 0.47 |
| ▸ | DRD3 | P35462 | 7/20 | 0.47 |
| ▸ | DRD1 | P21728 | 4/20 | 0.47 |
| ▸ | DRD5 | P21918 | 4/20 | 0.47 |
| ▸ | DRD4 | P21917 | 2/20 | 0.47 |
| ▸ | HTR6 | P50406 | 4/20 | 0.46 |
| ▸ | HTR2C | P28335 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.46 |
| ▸ | TDP2 | O95551 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL160943 | 0.80 | HTR2A (0.55) | DRD2DRD3DRD1DRD5DRD4 | |
| SCHEMBL4321862 | 0.76 | MAOA (0.60) | DRD2DRD3DRD1DRD5DRD4 | |
| SCHEMBL6883015 | 0.75 | MAOA (0.59) | DRD2DRD3DRD1DRD5DRD4 | |
| SCHEMBL29991420 | 0.73 | MAOA (0.55) | DRD2DRD3DRD1DRD5DRD4 | |
| SCHEMBL2625798 | 0.73 | MAOA (0.55) | DRD2DRD3DRD1DRD5DRD4 | |
| SCHEMBL11558057 | 0.72 | QDPR (0.56) | HTR6HTR2C | |
| SCHEMBL20079881 | 0.71 | CYP11B1 (0.52) | CYP3A4CYP1A2CYP2C9CYP2C19PARP10 | |
| SCHEMBL4139998 | 0.71 | HRH3 (0.45) | PARP10PARP11TDP2 | |
| SCHEMBL16394285 | 0.71 | TAAR1 (0.71) | CYP1A2TDP2PGRESR2ALOX5 | |
| SCHEMBL31491189 | 0.71 | TAAR1 (0.71) | CYP1A2TDP2PGRESR2ALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2363394-A1 | 8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, its salts, solvates or hydrates and its use for the treatment of CNS disorders | Arena Pharmaceuticals, Inc. (US) | 2011-09-07 | — | — | EP | disclosed |