Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 16/20 | 0.79 |
| ▸ | CYP2C9 | P11712 | 12/20 | 0.79 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.79 |
| ▸ | LMNA | P02545 | 2/20 | 0.79 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.79 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.79 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.79 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.79 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.79 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.79 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.52 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.52 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.52 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL30944239 | 1.00 | CYP3A4 (0.79) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL26094521 | 0.89 | CYP3A4 (0.77) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL2326130 | 0.89 | CYP3A4 (0.81) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL355326 | 0.89 | CYP3A4 (0.95) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL29360276 | 0.89 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL3151 | 0.89 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL5597261 | 0.89 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL5503188 | 0.89 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL6378035 | 0.88 | CYP3A4 (0.88) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL2244102 | 0.87 | CYP3A4 (0.97) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5047548-A | 3-aryl-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butyramide and derivatives as antifungal agents | PFIZER INC. (US) | 1991-09-10 | — | — | US | disclosed |
| EP-0106515-B1 | TRIAZOLE ANTI-FUNGAL AGENTS | Pfizer Limited (GB) | 1988-12-28 | — | — | EP | disclosed |
| US-4503063-A | PLANTS AND ANIMALS | PFIZER INC. (US) | 1985-03-05 | — | — | US | disclosed |
| EP-0106515-A2 | Triazole anti-fungal agents | Pfizer Limited (GB) | 1984-04-25 | — | — | EP | disclosed |