Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 20/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL902553 | 1.00 | CYP3A4 (0.56) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10202542 | 0.93 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13771305 | 0.91 | CYP3A4 (0.54) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2736155 | 0.91 | CYP3A4 (0.54) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL902550 | 0.90 | CYP3A4 (0.57) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL902981 | 0.89 | CYP3A4 (0.56) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL902953 | 0.88 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11919250 | 0.88 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11919331 | 0.88 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2736319 | 0.87 | CYP3A4 (0.54) | CYP3A4CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012045007-A1 | METHOD OF PREPARATION OF (4 - {4 -ACETYLAMINO- 2 - [3- ( 2 - ISOPROPYL - THIAZOL - 4 - YLMETHYL) - 3 -METHYL - UREIDO] - BUTYRYL AMINO} -1 -BENZYL- 5 -PHENYL- PENTYL) -CARBAMIC ACID THIAZOL - 5 - YLMETHYL ESTER | GILEAD SCIENCES, INC. (US) | 2012-04-05 | — | — | WO | disclosed |