Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.76 |
| ▸ | HTR1A | P08908 | 5/20 | 0.71 |
| ▸ | HTR6 | P50406 | 1/20 | 0.61 |
| ▸ | DRD2 | P14416 | 5/20 | 0.61 |
| ▸ | DRD3 | P35462 | 4/20 | 0.61 |
| ▸ | DRD1 | P21728 | 2/20 | 0.61 |
| ▸ | DRD4 | P21917 | 2/20 | 0.61 |
| ▸ | DRD5 | P21918 | 2/20 | 0.61 |
| ▸ | BCHE | P06276 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.55 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.55 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL6465788 | 0.92 | HTR2A (0.88) | HTR2AHTR1AHTR6DRD2DRD3 | |
| SCHEMBL735143 | 0.90 | HTR2A (0.78) | HTR2AHTR1AHTR6DRD2DRD3 | |
| SCHEMBL20244861 | 0.87 | HTR2A (0.78) | HTR2AHTR1AHTR6DRD2DRD3 | |
| SCHEMBL25295661 | 0.86 | HTR2A (1.00) | HTR2AHTR1ADRD2DRD3DRD1 | |
| SCHEMBL29543272 | 0.86 | HTR2A (0.94) | HTR2AHTR1ADRD2DRD3DRD1 | |
| SCHEMBL733629 | 0.86 | HTR2A (0.94) | HTR2AHTR1ADRD2DRD3DRD1 | |
| SCHEMBL11679648 | 0.85 | HTR2A (0.76) | HTR2AHTR1AHTR6DRD2DRD3 | |
| SCHEMBL32669458 | 0.85 | HTR2A (0.91) | HTR2AHTR1ADRD2DRD3DRD1 | |
| SCHEMBL734226 | 0.85 | HTR2A (0.91) | HTR2AHTR1ADRD2DRD3DRD1 | |
| SCHEMBL24746493 | 0.85 | HTR2A (0.70) | HTR2AHTR1AHTR6DRD2DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| US-8138174-B2 | Such as N-{1-[7-(2-amino-ethoxyimino)-7-[4-(trifluoromethyl)phenyl]heptylamino]-1-[3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-methylidene)-4-chloro-benzenesulfonamide; pain. psychosis, anxiety, depression, attention deficits, cognitive disorders, obesity; neurodegenerative disorders | SOLVAY PHARMACEUTICALS B.V. (NL) | 2012-03-20 | — | — | US | disclosed |