Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRCP | P42785 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20221663 | 0.92 | CYP3A4 (0.54) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL1648741 | 0.87 | PRCP (0.53) | PRCPCYP3A4CYP2C9NR1I2ABCB11 | |
| SCHEMBL12773909 | 0.80 | PRCP (0.53) | PRCPCYP3A4CYP2C9NR1I2ABCB11 | |
| SCHEMBL16927250 | 0.79 | CYP3A4 (0.61) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL16927251 | 0.79 | CYP3A4 (0.61) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL933836 | 0.79 | CYP3A4 (0.65) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL2194548 | 0.79 | CYP3A4 (0.65) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL16938785 | 0.78 | CYP3A4 (0.62) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL12509295 | 0.77 | CYP3A4 (0.69) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 | |
| SCHEMBL12509718 | 0.77 | CYP3A4 (0.69) | CYP3A4CYP2C9NR1I2ABCB11OPRK1 |
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-2802326-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-04-18 | — | — | EP | disclosed |