Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 19/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10202546 | 0.91 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP2C19CYP2C9BACE1 | |
| SCHEMBL2736143 | 0.90 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP2C19CYP2C9BACE1 | |
| SCHEMBL17578215 | 0.89 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C19CYP2C9BACE1 | |
| SCHEMBL10202787 | 0.86 | CYP3A4 (0.53) | CYP3A4CYP2D6CYP2C19CYP2C9BACE1 | |
| SCHEMBL13970436 | 0.86 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C19CYP2C9BACE1 | |
| SCHEMBL2736153 | 0.85 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP2C19CYP2C9BACE1 | |
| SCHEMBL2736185 | 0.85 | CYP3A4 (0.54) | CYP3A4CYP2D6CYP2C19CYP2C9BACE1 | |
| SCHEMBL13771306 | 0.84 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C19CYP2C9BACE1 | |
| SCHEMBL2736193 | 0.83 | CYP3A4 (0.54) | CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL7187429 | 0.82 | CYP3A4 (0.49) | CYP3A4BACE1 |
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 |