Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | EP300 | Q09472 | 1/20 | 0.50 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.50 |
| ▸ | ELANE | P08246 | 2/20 | 0.47 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL12292462 | 0.92 | KCNH2 (0.67) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL14865108 | 0.92 | KCNH2 (0.67) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL13125194 | 0.88 | KCNH2 (0.59) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL12034446 | 0.86 | KCNH2 (0.74) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL13149288 | 0.85 | KCNH2 (0.55) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL14865092 | 0.84 | KCNH2 (0.52) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL5987813 | 0.83 | KCNH2 (0.44) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL10299121 | 0.83 | KCNH2 (0.44) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL17490819 | 0.83 | KCNH2 (0.70) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL18648212 | 0.83 | KCNH2 (0.70) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2628481-B1 | Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV | ABBVIE BAHAMAS LTD (BS) | 2016-02-24 | — | — | EP | disclosed |