Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | REN | P00797 | 1/20 | 0.39 |
| ▸ | UGT1A1 | P22309 | 2/20 | 0.39 |
| ▸ | MLNR | O43193 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | CCKAR | P32238 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | GHSR | Q92847 | 1/20 | 0.39 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.39 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17635757 | 0.88 | CYP2D6 (0.53) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL2177873 | 0.87 | UGT1A1 (0.43) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL8152590 | 0.87 | UGT1A1 (0.43) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL3393562 | 0.87 | UGT1A1 (0.43) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| Hydrochloric Acid SCHEMBL6156798 | 0.86 | UGT1A1 (0.43) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| Hydrochloric Acid SCHEMBL1300940 | 0.86 | UGT1A1 (0.43) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| Hydrochloric Acid SCHEMBL30018372 | 0.86 | UGT1A1 (0.43) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL17635666 | 0.85 | CYP2D6 (0.49) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL13326994 | 0.85 | CYP1A2 (0.38) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL8229831 | 0.84 | CYP1A2 (0.41) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2069303-B1 | ANTIVIRAL PROTEASE INHIBITORS | GILEAD SCIENCES INC (US) | 2016-03-30 | — | — | EP | disclosed |