Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.38 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.38 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5340414 | 0.83 | CYP3A4 (0.37) | CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7 | |
| SCHEMBL2625489 | 0.83 | CYP11B1 (0.40) | CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7 | |
| SCHEMBL22368312 | 0.79 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7 | |
| SCHEMBL2371326 | 0.76 | AKR1C3 (0.38) | CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7 | |
| SCHEMBL31214086 | 0.76 | CYP11B1 (0.39) | CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7 | |
| SCHEMBL2371309 | 0.74 | CYP3A4 (0.36) | CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7 | |
| Potassium Ion SCHEMBL2370572 | 0.74 | CYP3A4 (0.36) | CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7 | |
| Lithium Ion SCHEMBL2370296 | 0.74 | CYP3A4 (0.36) | CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7 | |
| SCHEMBL29048265 | 0.73 | CYP3A4 (0.34) | CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7 | |
| SCHEMBL14562495 | 0.72 | HCAR2 (0.34) | CYP3A4CYP2C9CYP2B6CYP3A5CYP3A7 |
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 |
| 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 | disclosed |
| 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 | disclosed |