Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 20/20 | 0.74 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL903002 | 0.92 | CYP3A4 (0.74) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL2736323 | 0.90 | CYP3A4 (0.72) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL15241341 | 0.89 | CYP3A4 (0.63) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL18715391 | 0.88 | CYP3A4 (0.59) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL18006726 | 0.86 | CYP3A4 (0.77) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL19810178 | 0.86 | CYP3A4 (0.77) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10129123 | 0.86 | CYP3A4 (0.77) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL18937998 | 0.86 | CYP3A4 (0.77) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL19810200 | 0.86 | CYP3A4 (0.76) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL18006652 | 0.86 | CYP3A4 (0.76) | 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 |