Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 11/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.61 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.61 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.61 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.45 |
| ▸ | PRCP | P42785 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL15477464 | 0.95 | CYP3A4 (0.69) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL2959577 | 0.95 | CYP3A4 (0.69) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL27780306 | 0.94 | CYP3A4 (0.60) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL10177209 | 0.93 | CYP3A4 (0.71) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL19578082 | 0.93 | CYP3A4 (0.68) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL10177580 | 0.92 | CYP3A4 (0.73) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL17571146 | 0.92 | CYP3A4 (0.73) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL12174942 | 0.91 | KCNH2 (0.63) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL28814568 | 0.90 | CYP3A4 (0.56) | CYP3A4CYP2C9KCNH2NR1I2ABCB11 | |
| SCHEMBL12175043 | 0.90 | CYP3A4 (0.63) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101528232-B | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2014-11-12 | — | — | CN | disclosed |
| CN-101528232-A | Hepatitis C virus inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2009-09-09 | — | — | CN | disclosed |