Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.78 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.78 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.78 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.78 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.67 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.67 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.67 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.67 |
| ▸ | PRCP | P42785 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15765643 | 0.97 | CYP3A4 (0.83) | CYP3A4CYP2C9CYP1A2CYP2D6KCNH2 | |
| SCHEMBL2686099 | 0.94 | CYP3A4 (0.79) | CYP3A4CYP2C9CYP1A2CYP2D6KCNH2 | |
| SCHEMBL2686102 | 0.94 | CYP3A4 (0.79) | CYP3A4CYP2C9CYP1A2CYP2D6KCNH2 | |
| SCHEMBL15765637 | 0.90 | CYP3A4 (0.73) | CYP3A4CYP2C9CYP1A2CYP2D6KCNH2 | |
| SCHEMBL2693024 | 0.88 | CYP3A4 (0.69) | CYP3A4CYP2C9CYP1A2CYP2D6KCNH2 | |
| SCHEMBL2693018 | 0.88 | CYP3A4 (0.69) | CYP3A4CYP2C9CYP1A2CYP2D6KCNH2 | |
| SCHEMBL5991318 | 0.87 | CYP3A4 (0.88) | CYP3A4CYP2C9CYP1A2CYP2D6KCNH2 | |
| SCHEMBL2708386 | 0.83 | CYP3A4 (0.88) | CYP3A4CYP2C9CYP1A2CYP2D6KCNH2 | |
| SCHEMBL204182 | 0.83 | CYP3A4 (0.88) | CYP3A4CYP2C9CYP1A2CYP2D6KCNH2 | |
| SCHEMBL204183 | 0.83 | CYP3A4 (0.88) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2651924-A1 | ANTI-VIRAL COMPOUNDS | Abbvie Inc. (US) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012083164-A1 | ANTI-VIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2012-06-21 | — | — | WO | disclosed |