Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Fluconazole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 16/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 12/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 12/20 | 1.00 |
| ▸ | LMNA | P02545 | 2/20 | 1.00 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 1.00 |
| ▸ | CYP19A1 | P11511 | 1/20 | 1.00 |
| ▸ | CYP11B1 | P15538 | 1/20 | 1.00 |
| ▸ | CYP11B2 | P19099 | 1/20 | 1.00 |
| ▸ | ADRA1A | P35348 | 1/20 | 1.00 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 1.00 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.58 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.58 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.58 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
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 SCHEMBL29360276 | 1.00 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL5503188 | 1.00 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL3151 | 1.00 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL27971366 | 0.99 | CYP3A4 (0.97) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL20305060 | 0.99 | CYP3A4 (0.97) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL28141272 | 0.99 | CYP3A4 (0.97) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL27534402 | 0.99 | CYP3A4 (0.97) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL27971503 | 0.99 | CYP3A4 (0.97) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL2244102 | 0.99 | CYP3A4 (0.97) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL27514614 | 0.99 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1267925-B8 | TREATMENT OF FUNGAL INFECTION WITH POLYENE OR BETA GLUCAN SYNTHASE INHIBITOR ANTIFUNGALS COMBINED WITH ANTI HSP90 ANTIBODIES | NEUTEC PHARMA LTD (GB) | 2007-08-29 | — | — | EP | disclosed |
| EP-1267925-A1 | TREATMENT OF FUNGAL INFECTION WITH POLYENE OR BETA GLUCAN SYNTHASE INHIBITOR ANTIFUNGALS COMBINED WITH ANTI HSP90 ANTIBODIES | Neutec Pharma PLC (GB) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001076627-A1 | TREATMENT OF FUNGAL INFECTIONS WITH POLYENE OR BETA GLUCAN SYNTHASE INHIBITOR ANTIFUNGALS COMBINED WITH ANTI HSP90 ANTIBODIES | NEUTEC PHARMA PLC (GB) | 2001-10-18 | — | — | WO | disclosed |