Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.58 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.58 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.58 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.58 |
| ▸ | PRCP | P42785 | 7/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | HPGDS | O60760 | 3/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.48 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.47 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11910995 | 0.98 | CYP3A4 (0.60) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL753302 | 0.98 | CYP3A4 (0.60) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL2706110 | 0.97 | CYP3A4 (0.58) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL10177193 | 0.95 | HPGDS (0.57) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL725968 | 0.94 | PRCP (0.64) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL10145019 | 0.94 | PRCP (0.64) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL23247528 | 0.94 | PRCP (0.57) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL29666028 | 0.94 | PRCP (0.57) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL203852 | 0.94 | CYP3A4 (0.58) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL20401814 | 0.94 | CYP3A4 (0.56) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 |
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-3042901-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB HOLDINGS IRELAND (CH) | 2018-01-24 | — | — | EP | disclosed |