Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 16/20 | 0.76 |
| ▸ | CYP2C9 | P11712 | 11/20 | 0.76 |
| ▸ | CYP2C19 | P33261 | 11/20 | 0.76 |
| ▸ | LMNA | P02545 | 2/20 | 0.76 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.76 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.76 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.76 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.76 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.76 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.76 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.48 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.48 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Fluconazole SCHEMBL5503188 | 0.87 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL29360276 | 0.87 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL5597261 | 0.87 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL3151 | 0.87 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL20363980 | 0.87 | CYP3A4 (0.76) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL30944228 | 0.86 | CYP3A4 (0.74) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL26091040 | 0.86 | CYP3A4 (0.74) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL2244102 | 0.86 | CYP3A4 (0.97) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL20305060 | 0.86 | CYP3A4 (0.97) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL27971503 | 0.86 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117658933-A | 1,2, 4-triazolol substituted benzenesulfonamide derivatives | 贵阳学院 | 2024-03-08 | — | — | CN | disclosed |