Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 11/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | LMNA | P02545 | 3/20 | 0.65 |
| ▸ | HPGD | P15428 | 3/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.65 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.65 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.65 |
| ▸ | NPC1 | O15118 | 1/20 | 0.65 |
| ▸ | GMNN | O75496 | 1/20 | 0.65 |
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | MAPT | P10636 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.65 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL5565441 | 0.84 | PDE5A (0.71) | PDE5AALDH1A1LMNAHPGDSMN1; SMN2 | |
| SCHEMBL6865036 | 0.81 | PDE5A (0.43) | PDE5AALDH1A1LMNAHPGDSMN1; SMN2 | |
| SCHEMBL8504699 | 0.80 | PDE5A (0.53) | PDE5AALDH1A1LMNAHPGDSMN1; SMN2 | |
| SCHEMBL6865260 | 0.79 | ADORA2A (0.54) | ALDH1A1LMNASMN1; SMN2HSD17B10L3MBTL1 | |
| SCHEMBL187837 | 0.79 | PDE5A (1.00) | PDE5AALDH1A1LMNAHPGDSMN1; SMN2 | |
| SCHEMBL29352550 | 0.79 | PDE5A (1.00) | PDE5AALDH1A1LMNAHPGDSMN1; SMN2 | |
| SCHEMBL1311143 | 0.75 | PDE5A (0.67) | PDE5AALDH1A1LMNAHPGDSMN1; SMN2 | |
| SCHEMBL14264655 | 0.75 | PDE5A (0.80) | PDE5AALDH1A1LMNAHPGDSMN1; SMN2 | |
| SCHEMBL5564827 | 0.74 | PDE5A (0.77) | PDE5AALDH1A1LMNAHPGDSMN1; SMN2 | |
| SCHEMBL5565474 | 0.74 | PDE5A (0.78) | PDE5AALDH1A1LMNAHPGDSMN1; 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-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 |