Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | PRCP | P42785 | 7/20 | 0.39 |
| ▸ | HPGDS | O60760 | 3/20 | 0.37 |
| ▸ | PTGES | O14684 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2579880 | 0.94 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP1A2CYP2D6KCNH2 | |
| SCHEMBL2965642 | 0.90 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP1A2CYP2D6KCNH2 | |
| SCHEMBL700050 | 0.88 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP1A2CYP2D6KCNH2 | |
| SCHEMBL13635770 | 0.86 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP1A2CYP2D6KCNH2 | |
| SCHEMBL1746980 | 0.86 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP1A2CYP2D6KCNH2 | |
| SCHEMBL3343500 | 0.85 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP1A2CYP2D6KCNH2 | |
| SCHEMBL16105875 | 0.84 | KCNH2 (0.42) | CYP3A4CYP2C9CYP1A2CYP2D6KCNH2 | |
| SCHEMBL16106090 | 0.83 | CYP3A4 (0.38) | CYP3A4CYP2C9CYP1A2CYP2D6KCNH2 | |
| SCHEMBL2591007 | 0.81 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP1A2CYP2D6KCNH2 | |
| SCHEMBL12159740 | 0.81 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP1A2CYP2D6KCNH2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009102325-A1 | IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-08-20 | — | — | WO | disclosed |
| WO-2009102318-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-08-20 | — | — | WO | disclosed |
| WO-2008021936-A2 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-02-21 | — | — | WO | disclosed |
| WO-2008021928-A2 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-02-21 | — | — | WO | disclosed |
| WO-2008021927-A2 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-02-21 | — | — | WO | disclosed |