Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 20/20 | 0.78 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.78 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.78 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.78 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.78 |
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 | |
|---|---|---|---|---|
| SCHEMBL10163767 | 0.96 | CYP3A4 (0.84) | CYP3A4CYP2D6CYP2C9CYP2C19ABCG2 | |
| SCHEMBL10164441 | 0.96 | CYP3A4 (0.84) | CYP3A4CYP2D6CYP2C9CYP2C19ABCG2 | |
| SCHEMBL10129403 | 0.93 | CYP3A4 (0.82) | CYP3A4CYP2D6CYP2C9CYP2C19ABCG2 | |
| SCHEMBL18583448 | 0.92 | CYP3A4 (0.93) | CYP3A4CYP2D6CYP2C9CYP2C19ABCG2 | |
| SCHEMBL10129394 | 0.90 | CYP3A4 (0.78) | CYP3A4CYP2D6CYP2C9CYP2C19ABCG2 | |
| SCHEMBL10202946 | 0.90 | CYP3A4 (0.81) | CYP3A4CYP2D6CYP2C9CYP2C19ABCG2 | |
| SCHEMBL10163769 | 0.90 | CYP3A4 (0.81) | CYP3A4CYP2D6CYP2C9CYP2C19ABCG2 | |
| SCHEMBL10129247 | 0.89 | CYP3A4 (0.77) | CYP3A4CYP2D6CYP2C9CYP2C19ABCG2 | |
| SCHEMBL10129425 | 0.89 | CYP3A4 (0.77) | CYP3A4CYP2D6CYP2C9CYP2C19ABCG2 | |
| SCHEMBL10129246 | 0.89 | CYP3A4 (0.78) | CYP3A4CYP2D6CYP2C9CYP2C19ABCG2 |
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-9891239-B2 | Modulators of pharmacokinetic properties of therapeutics | GILEAD SCIENCES, INC. (US) | 2018-02-13 | — | — | US | disclosed |