Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 20/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16369353 | 0.92 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12249484 | 0.92 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12249483 | 0.91 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11919019 | 0.85 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11919451 | 0.85 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10201400 | 0.84 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17577077 | 0.82 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2760160 | 0.80 | CYP3A4 (0.53) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13100460 | 0.80 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL16137184 | 0.80 | CYP3A4 (0.43) | 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 |
|---|---|---|---|---|---|---|---|
| US-9139541-B2 | Modulators of pharmacokinetic properties of therapeutics | GILEAD SCIENCES, INC. (US) | 2015-09-22 | — | — | US | disclosed |