Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 20/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2760155 | 0.91 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19ABCG2 | |
| SCHEMBL2736142 | 0.90 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19ABCG2 | |
| SCHEMBL20470460 | 0.83 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP2C9CYP2C19ABCG2 | |
| SCHEMBL20470445 | 0.80 | CYP3A4 (0.43) | CYP3A4CYP2D6CYP2C9CYP2C19ABCG2 | |
| SCHEMBL2736234 | 0.80 | CYP3A4 (0.60) | CYP3A4CYP2D6CYP2C9CYP2C19ABCG2 | |
| SCHEMBL18018759 | 0.80 | CYP3A4 (0.60) | CYP3A4CYP2D6CYP2C9CYP2C19ABCG2 | |
| SCHEMBL19861642 | 0.79 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP2C9CYP2C19ABCG2 | |
| SCHEMBL2760150 | 0.79 | CYP3A4 (0.58) | CYP3A4CYP2D6CYP2C9CYP2C19ABCG2 | |
| SCHEMBL13100455 | 0.79 | CYP3A4 (0.58) | CYP3A4CYP2D6CYP2C9CYP2C19ABCG2 | |
| SCHEMBL10164423 | 0.79 | CYP3A4 (0.60) | 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 |