Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2197637 | 0.87 | KCNH2 (0.63) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL2196365 | 0.85 | KCNH2 (0.52) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL2198301 | 0.84 | KCNH2 (0.53) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL2195345 | 0.84 | KCNH2 (0.53) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL2194642 | 0.83 | KCNH2 (0.52) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL2194641 | 0.83 | KCNH2 (0.52) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL2197078 | 0.83 | KCNH2 (0.56) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL2197138 | 0.83 | KCNH2 (0.56) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL16495777 | 0.83 | KCNH2 (0.52) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL12490151 | 0.82 | KCNH2 (0.53) | 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-2802326-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-04-18 | — | — | EP | disclosed |