Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UGT1A1 | P22309 | 3/20 | 0.81 |
| ▸ | MLNR | O43193 | 1/20 | 0.81 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.81 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.81 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.81 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.81 |
| ▸ | CCKAR | P32238 | 1/20 | 0.81 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.81 |
| ▸ | GHSR | Q92847 | 1/20 | 0.81 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.81 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.81 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.81 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.60 |
| ▸ | CTSD | P07339 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17635747 | 0.97 | UGT1A1 (0.76) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL13359916 | 0.93 | UGT1A1 (0.77) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| Atazanavir SCHEMBL20629937 | 0.90 | UGT1A1 (1.00) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| Atazanavir SCHEMBL20629941 | 0.90 | UGT1A1 (1.00) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| Atazanavir SCHEMBL1559640 | 0.90 | UGT1A1 (1.00) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| Atazanavir SCHEMBL22847477 | 0.90 | UGT1A1 (1.00) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| Atazanavir SCHEMBL41696 | 0.90 | UGT1A1 (1.00) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| Atazanavir SCHEMBL21565117 | 0.90 | UGT1A1 (1.00) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| Atazanavir SCHEMBL9975220 | 0.90 | UGT1A1 (1.00) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| Atazanavir SCHEMBL41697 | 0.90 | UGT1A1 (1.00) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 |
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-2008011117-A2 | ANTIVIRAL PROTEASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2008-01-24 | — | — | WO | disclosed |