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 | 0.74 |
| ▸ | CYP2C9 | P11712 | 12/20 | 0.74 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.74 |
| ▸ | LMNA | P02545 | 2/20 | 0.74 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.74 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.74 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.74 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.74 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.74 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.74 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.50 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8445505 | 0.93 | CYP3A4 (0.76) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL8445499 | 0.93 | CYP3A4 (0.76) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL6378035 | 0.90 | CYP3A4 (0.88) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL9742916 | 0.88 | CYP3A4 (0.69) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL28631616 | 0.88 | CYP3A4 (0.92) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL6377948 | 0.86 | CYP3A4 (0.95) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL5503188 | 0.86 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL29360276 | 0.86 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL3151 | 0.86 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| Fluconazole SCHEMBL5597261 | 0.86 | CYP3A4 (1.00) | 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 |
|---|---|---|---|---|---|---|---|
| US-20050282878-A1 | Process for the purification of fluconazole | GLENMARK PHARMACEUTICALS LIMITED (IN) | 2005-12-22 | — | — | US | 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.