Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.72 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.72 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.72 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.72 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.72 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.65 |
| ▸ | PRCP | P42785 | 4/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1745502 | 1.00 | CYP3A4 (0.72) | CYP3A4CYP2C9CYP1A2NR1I2KCNH2 | |
| SCHEMBL1747228 | 0.94 | CYP3A4 (0.71) | CYP3A4CYP2C9CYP1A2NR1I2KCNH2 | |
| SCHEMBL1747223 | 0.94 | CYP3A4 (0.71) | CYP3A4CYP2C9CYP1A2NR1I2KCNH2 | |
| SCHEMBL1745603 | 0.93 | CYP3A4 (0.72) | CYP3A4CYP2C9CYP1A2NR1I2KCNH2 | |
| SCHEMBL1745605 | 0.93 | CYP3A4 (0.72) | CYP3A4CYP2C9CYP1A2NR1I2KCNH2 | |
| SCHEMBL1745849 | 0.93 | KCNH2 (0.64) | CYP3A4CYP2C9CYP1A2NR1I2KCNH2 | |
| SCHEMBL1747467 | 0.92 | CYP3A4 (0.69) | CYP3A4CYP2C9CYP1A2NR1I2KCNH2 | |
| SCHEMBL1747472 | 0.92 | CYP3A4 (0.69) | CYP3A4CYP2C9CYP1A2NR1I2KCNH2 | |
| SCHEMBL1745581 | 0.90 | CYP3A4 (0.66) | CYP3A4CYP2C9CYP1A2NR1I2KCNH2 | |
| SCHEMBL1745582 | 0.90 | CYP3A4 (0.66) | CYP3A4CYP2C9CYP1A2NR1I2KCNH2 |
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 |