Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 5/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.33 |
| ▸ | EPAS1 | Q99814 | 5/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.33 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.33 |
| ▸ | MAPKAPK3 | Q16644 | 1/20 | 0.33 |
| ▸ | MAPK6 | Q16659 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8332364 | 0.89 | PDE5A (0.41) | PDE5AHIF1AEPAS1MAPK1MAP2K4 | |
| SCHEMBL8328753 | 0.84 | PDE5A (0.37) | PDE5AHIF1AEPAS1MAPK1MAP2K4 | |
| SCHEMBL8504165 | 0.77 | ALDH1A1 (0.37) | PDE5AHIF1AEPAS1MAPK1KDM4E | |
| SCHEMBL163795 | 0.75 | HIF1A (0.44) | PDE5AHIF1AEPAS1MAPK1MAP2K4 | |
| SCHEMBL8330242 | 0.75 | MAP2K4 (0.39) | PDE5AHIF1AEPAS1MAPK1MAP2K4 | |
| SCHEMBL8471597 | 0.73 | MAP2K1 (0.41) | PDE5AHIF1AEPAS1MAPK1MAP2K4 | |
| SCHEMBL8327060 | 0.70 | AR (0.35) | HIF1AMAPK1KDM4EALDH1A1MAPT | |
| SCHEMBL5565435 | 0.69 | PDE5A (0.56) | PDE5AHIF1AEPAS1MAPK1MAP2K4 | |
| SCHEMBL8328669 | 0.69 | MAP2K4 (0.43) | PDE5AHIF1AEPAS1MAPK1MAP2K4 | |
| SCHEMBL8329920 | 0.67 | PDE5A (0.44) | PDE5AHIF1AEPAS1MAP2K4SMN1; SMN2 |
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 |