Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 20/20 | 0.78 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.77 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.77 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.77 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.77 |
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 | |
|---|---|---|---|---|
| SCHEMBL2736324 | 0.95 | CYP3A4 (0.77) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL10129324 | 0.93 | CYP3A4 (0.76) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL10129139 | 0.92 | CYP3A4 (0.74) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL2736322 | 0.91 | CYP3A4 (0.73) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL2736323 | 0.91 | CYP3A4 (0.72) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL10129318 | 0.90 | CYP3A4 (0.76) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL10129384 | 0.90 | CYP3A4 (0.71) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL18893487 | 0.90 | CYP3A4 (0.72) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL10129141 | 0.89 | CYP3A4 (0.83) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL13240262 | 0.89 | CYP3A4 (0.69) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 |
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-2012088178-A1 | INHIBITORS OF CYTOCHROME P450 (CYP3A4) | GILEAD SCIENCES, INC. (US) | 2012-06-28 | — | — | WO | disclosed |