Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 7/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 4/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CDC7 | O00311 | 2/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.34 |
| ▸ | PIM1 | P11309 | 2/20 | 0.34 |
| ▸ | CDK2 | P24941 | 2/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.34 |
| ▸ | HIPK2 | Q9H2X6 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL163795 | 0.88 | HIF1A (0.44) | CYP2D6CYP2C9CYP3A4CYP2C19CYP2A6 | |
| SCHEMBL8470062 | 0.86 | CYP1A2 (0.36) | CYP2D6CYP2C9CYP3A4CYP2C19CYP1A2 | |
| SCHEMBL5971777 | 0.85 | PDE5A (0.45) | CYP2D6CYP2C9CYP3A4CYP2C19CYP1A2 | |
| SCHEMBL8329288 | 0.83 | PDE5A (0.40) | CYP2D6CYP2C9CYP3A4CYP2C19CYP1A2 | |
| SCHEMBL8472628 | 0.81 | CYP3A4 (0.40) | CYP2D6CYP2C9CYP3A4CYP2C19CYP2E1 | |
| SCHEMBL8470520 | 0.79 | CYP1A2 (0.39) | CYP2D6CYP2C9CYP3A4CYP2C19CYP1A2 | |
| SCHEMBL8330242 | 0.78 | MAP2K4 (0.39) | CYP2D6CYP2C9CYP3A4CYP2C19CYP2A6 | |
| SCHEMBL8470320 | 0.78 | MMP2 (0.43) | CYP2D6CYP2C9CYP3A4CYP2C19CYP1A2 | |
| SCHEMBL5493286 | 0.77 | KDM4E (0.41) | CYP2D6CYP2C9CYP3A4CYP2C19CYP1A2 | |
| SCHEMBL8328669 | 0.77 | MAP2K4 (0.43) | CYP2D6CYP2C9CYP3A4CYP2C19CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0934311-A2 | NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES | BAYER AG (DE) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998016507-A2 | NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES | BAYER AKTIENGESELLSCHAFT (DE) | 1998-04-23 | — | — | WO | disclosed |