Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | TTK | P33981 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.36 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4724799 | 0.79 | KCNH2 (0.47) | HTR2AHTR2C | |
| SCHEMBL4661803 | 0.78 | KAT2B (0.39) | DRD1MAPTALDH1A1HTR2AHTR2C | |
| SCHEMBL14397723 | 0.78 | HTR2A (0.38) | HTR2AHTR2CROCK2ROCK1CDC42BPB | |
| SCHEMBL4724119 | 0.77 | HTR2A (0.48) | HTR2AHTR2C | |
| SCHEMBL1166433 | 0.76 | HTR2A (0.52) | MAPTALDH1A1HTR2AHTR2CLRRK2 | |
| SCHEMBL4791807 | 0.73 | MKNK1 (0.41) | ROCK2ROCK1CDC42BPBACVR1ADRA1A | |
| SCHEMBL16442403 | 0.73 | IMPDH2 (0.49) | MAPTALDH1A1HTR2AHTR2CLRRK2 | |
| SCHEMBL4660667 | 0.72 | HTR2A (0.40) | ALDH1A1HTR2AHTR2CCYP1A2CYP3A4 | |
| SCHEMBL4659261 | 0.72 | HTR2A (0.40) | HTR2AHTR2C | |
| SCHEMBL31165734 | 0.72 | AURKA (0.59) | MAPTAURKATTKAURKBINCENP |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2004627-A2 | 3-PYRIDINYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | Arena Pharmaceuticals, Inc. (US) | 2008-12-24 | — | — | EP | disclosed |
| WO-2007120600-A2 | 3-PYRIDINYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARMACEUTICALS, INC. (US) | 2007-10-25 | — | — | WO | disclosed |
| WO-2007120600-A2 | 3-PYRIDINYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARMACEUTICALS, INC. (US) | 2007-10-25 | — | — | WO | disclosed |