Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 14/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.53 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.53 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7075990 | 0.96 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 | |
| SCHEMBL7071763 | 0.94 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 | |
| SCHEMBL7075520 | 0.92 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 | |
| SCHEMBL6942291 | 0.92 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 | |
| SCHEMBL7076415 | 0.92 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 | |
| SCHEMBL7235072 | 0.91 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 | |
| SCHEMBL7228377 | 0.91 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 | |
| SCHEMBL7237317 | 0.91 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 | |
| SCHEMBL7228028 | 0.91 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 | |
| SCHEMBL7238306 | 0.90 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19LMNACYP19A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6670363-B1 | 2-(2,4-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol -1-yl) propyl)-4-(4-(4-(4-chlorophenyl)-1-piperazinyl)phenyl) -3-(2H,4H)-1,2,4-triazolone; opportunistic fungal infections | RANBAXY LABORATORIES LIMITED (IN) | 2003-12-30 | — | — | US | claimed |
| US-6670363-B1 | 2-(2,4-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol -1-yl) propyl)-4-(4-(4-(4-chlorophenyl)-1-piperazinyl)phenyl) -3-(2H,4H)-1,2,4-triazolone; opportunistic fungal infections | RANBAXY LABORATORIES LIMITED (IN) | 2003-12-30 | — | — | US | disclosed |