Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 9/20 | 0.43 |
| ▸ | LMNA | P02545 | 7/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6867276 | 0.81 | PDE5A (0.65) | PDE5ALMNAALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL8507390 | 0.80 | CYP2C9 (0.36) | PDE5ALMNAALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL3072072 | 0.79 | PDE5A (0.67) | PDE5ALMNAALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL6865260 | 0.78 | ADORA2A (0.54) | LMNAALDH1A1HSD17B10SMN1; SMN2TSHR | |
| SCHEMBL5334275 | 0.74 | PDE5A (0.57) | PDE5ALMNAALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL3068514 | 0.72 | PDE5A (0.70) | PDE5ALMNAALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL3076502 | 0.71 | PDE5A (0.56) | PDE5ALMNAALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL3081242 | 0.69 | PDE5A (0.53) | PDE5ALMNAALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL3064866 | 0.68 | PDE5A (0.58) | PDE5ALMNAALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL3076227 | 0.67 | PDE5A (0.51) | PDE5ALMNAALDH1A1CYP2C9CYP2C19 |
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-0944631-B1 | NOVEL SUBSTITUTED PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CARDIOCIRCULATORY DISEASES | BAYER HEALTHCARE AG (DE) | 2004-02-18 | — | — | EP | disclosed |
| US-6451805-B1 | Substituted pyrazole derivatives for the treatment of cardiocirculatory diseases | BAYER AKTIENGESELLSCHAFT (DE) | 2002-09-17 | — | — | US | disclosed |