Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 16/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 12/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.64 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.64 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.64 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.64 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.64 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.64 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.51 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.51 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.51 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17432038 | 0.89 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL15380290 | 0.88 | CYP3A4 (0.67) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL17429538 | 0.87 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL15380373 | 0.86 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL30383379 | 0.86 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL14248397 | 0.86 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL14248044 | 0.86 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL15380175 | 0.86 | CYP3A4 (0.70) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL25195995 | 0.86 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19LMNAHSP90AA1 | |
| SCHEMBL15380380 | 0.86 | CYP3A4 (0.56) | 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 |
|---|---|---|---|---|---|---|---|
| EP-2721014-A2 | HYBRID MOLECULES CONTAINING PHARMACOPHORES OF FLUCONAZOLE AS ANTIFUNGAL AGENTS AND THEIR PREPARATION | FDC Limited (IN) | 2014-04-23 | — | — | EP | claimed |
| WO-2012172562-A2 | HYBRID MOLECULES CONTAINING PHARMACOPHORES OF FLUCONAZOLE AS ANTIFUNGAL AGENTS AND THEIR PREPARATION | FDC LIMITED (IN) | 2012-12-20 | — | — | WO | claimed |
| EP-2721014-A2 | HYBRID MOLECULES CONTAINING PHARMACOPHORES OF FLUCONAZOLE AS ANTIFUNGAL AGENTS AND THEIR PREPARATION | FDC Limited (IN) | 2014-04-23 | — | — | EP | disclosed |
| WO-2012172562-A2 | HYBRID MOLECULES CONTAINING PHARMACOPHORES OF FLUCONAZOLE AS ANTIFUNGAL AGENTS AND THEIR PREPARATION | FDC LIMITED (IN) | 2012-12-20 | — | — | WO | disclosed |