Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | MAP2K4 | P45985 | 2/20 | 0.36 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.36 |
| ▸ | MAPK6 | Q16659 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8470520 | 0.83 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8470284 | 0.83 | CYP2D6 (0.41) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8472628 | 0.83 | CYP3A4 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL163795 | 0.83 | HIF1A (0.44) | PDE5ACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5971777 | 0.82 | PDE5A (0.45) | PDE5ACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5493286 | 0.82 | KDM4E (0.41) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8470062 | 0.81 | CYP1A2 (0.36) | PDE5ACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8470320 | 0.80 | MMP2 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5313810 | 0.75 | MAP2K4 (0.37) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5317261 | 0.74 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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-0932403-A1 | USE OF CONDENSATED (HETARYL-SUBSTITUTED) 1-BENZAL-3-PYRAZOL DERIVATES FOR TREATING SPECIAL DISEASES OF THE CARDIOVASCULAR AND THE CENTRAL NERVOUS SYSTEMS | BAYER AG (DE) | 1999-08-04 | — | — | EP | claimed |
| WO-1998016223-A1 | USE OF CONDENSATED (HETARYL-SUBSTITUTED) 1-BENZAL-3-PYRAZOL DERIVATES FOR TREATING SPECIAL DISEASES OF THE CARDIOVASCULAR AND THE CENTRAL NERVOUS SYSTEMS | BAYER AKTIENGESELLSCHAFT (DE) | 1998-04-23 | — | — | WO | claimed |