Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | PRCP | P42785 | 10/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | HPGDS | O60760 | 3/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL692400 | 0.95 | HPGDS (0.47) | CYP3A4CYP2C9CYP1A2CYP2D6PRCP | |
| SCHEMBL1747547 | 0.90 | PRCP (0.45) | CYP3A4CYP2C9CYP1A2CYP2D6PRCP | |
| SCHEMBL1747454 | 0.88 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP1A2CYP2D6PRCP | |
| SCHEMBL693793 | 0.85 | HPGDS (0.45) | CYP3A4CYP2C9CYP1A2CYP2D6PRCP | |
| SCHEMBL3343500 | 0.84 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP1A2CYP2D6PRCP | |
| SCHEMBL13635770 | 0.84 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP1A2CYP2D6PRCP | |
| SCHEMBL1746980 | 0.84 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP1A2CYP2D6PRCP | |
| SCHEMBL1745859 | 0.81 | PRCP (0.41) | CYP3A4CYP2C9CYP1A2CYP2D6PRCP | |
| SCHEMBL20484393 | 0.80 | PRCP (0.38) | CYP3A4CYP2C9CYP1A2CYP2D6PRCP | |
| SCHEMBL20484392 | 0.80 | PRCP (0.38) | CYP3A4CYP2C9CYP1A2CYP2D6PRCP |
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 |
|---|---|---|---|---|---|---|---|
| EP-2385048-A1 | Hepatitis C virus inhibitors | Bristol-Myers Squibb Company (US) | 2011-11-09 | — | — | EP | disclosed |
| US-20110252687-A1 | Canting Vertical Fore Grip with Bipod | GRIP POD SYSTEMS, LLC | 2011-10-20 | — | — | US | disclosed |