Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 20/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.54 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.54 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.54 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.54 |
| ▸ | MLNR | O43193 | 1/20 | 0.54 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.54 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | PGR | P06401 | 1/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.54 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL10129191 | 0.93 | CYP3A4 (0.66) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL2736324 | 0.85 | CYP3A4 (0.77) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL10129192 | 0.84 | CYP3A4 (0.67) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL10129376 | 0.84 | CYP3A4 (0.59) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL25676011 | 0.84 | CYP3A4 (0.68) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL10129141 | 0.83 | CYP3A4 (0.83) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL10129183 | 0.83 | CYP3A4 (0.65) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL2736322 | 0.82 | CYP3A4 (0.73) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL2736323 | 0.82 | CYP3A4 (0.72) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL13240262 | 0.81 | CYP3A4 (0.69) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 |
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 |