Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 19/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 12/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.72 |
| ▸ | LMNA | P02545 | 2/20 | 0.72 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.72 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.72 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.72 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.72 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.72 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3763602 | 0.86 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| SCHEMBL12997598 | 0.86 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| Voriconazole SCHEMBL29449335 | 0.84 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| Voriconazole SCHEMBL1554444 | 0.84 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| Voriconazole SCHEMBL29449338 | 0.84 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| Voriconazole SCHEMBL824156 | 0.84 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| Voriconazole SCHEMBL29378592 | 0.84 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| Voriconazole SCHEMBL4709722 | 0.84 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| Voriconazole SCHEMBL3949267 | 0.84 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 | |
| Voriconazole SCHEMBL371715 | 0.84 | CYP3A4 (1.00) | CYP3A4CYP2C9CYP2C19LMNACYP2B6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011045807-A2 | A NOVEL PROCESS TO MANUFACTURE (2R,3S)-2-(2,4-DIFLUOROPHENYL)-3-(5-FLUOROPYRIMIDIN-4-YL)-1-(1H-1,2,4-TRIAZOL-1-YL)BUTAN-2-OL | NEULAND LABORATORIES LTD. (IN) | 2011-04-21 | — | — | WO | claimed |
| EP-0880533-A1 | TRIAZOLE DERIVATIVES USEFUL IN THERAPY | Pfizer Research and Development Company, N.V./S.A. (IE) | 1998-12-02 | — | — | EP | disclosed |
| WO-1997028169-A1 | TRIAZOLE DERIVATIVES USEFUL IN THERAPY | PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) | 1997-08-07 | — | — | WO | disclosed |