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 | 0.95 |
| ▸ | CYP2C9 | P11712 | 12/20 | 0.95 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.95 |
| ▸ | LMNA | P02545 | 2/20 | 0.95 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.95 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.95 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.95 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.95 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.95 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.95 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.59 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.59 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.59 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.51 |
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 | 0.97 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL29360276 | 0.97 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL3151 | 0.97 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL5597261 | 0.97 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL28631616 | 0.96 | CYP3A4 (0.92) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL27971503 | 0.96 | CYP3A4 (0.97) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL27534402 | 0.96 | CYP3A4 (0.97) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL27971366 | 0.96 | CYP3A4 (0.97) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL20305060 | 0.96 | CYP3A4 (0.97) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL2244102 | 0.96 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1270826-C | Fluoro comzole coordination polymer, preparation method and use | UNIV ZHENGZHOU (CN) | 2006-08-23 | — | — | CN | claimed |
| CN-1597115-A | Fluoro comzole coordination polymer, preparation method and use | UNIV ZHENGZHOU (CN) | 2005-03-23 | — | — | CN | claimed |
| CN-1270826-C | Fluoro comzole coordination polymer, preparation method and use | UNIV ZHENGZHOU (CN) | 2006-08-23 | — | — | CN | disclosed |
| US-20050282878-A1 | Process for the purification of fluconazole | GLENMARK PHARMACEUTICALS LIMITED (IN) | 2005-12-22 | — | — | US | disclosed |
| CN-1597115-A | Fluoro comzole coordination polymer, preparation method and use | UNIV ZHENGZHOU (CN) | 2005-03-23 | — | — | CN | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050282878-A1 | Process for the purification of fluconazole | ERG28, CYP51A1, MAN2B1 | CYP3A4 29/4885CYP2C9 90/4885CYP2C19 118/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.