Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22344978 | 1.00 | KCNH2 (0.57) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL474751 | 1.00 | KCNH2 (0.57) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL18379459 | 0.94 | KCNH2 (0.52) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL895306 | 0.90 | KCNH2 (0.56) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL10223645 | 0.88 | KCNH2 (0.75) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL20952453 | 0.88 | KCNH2 (0.60) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL16188351 | 0.88 | KCNH2 (0.60) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL16188303 | 0.88 | KCNH2 (0.60) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL20966484 | 0.88 | KCNH2 (0.46) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL22344943 | 0.88 | KCNH2 (0.59) | 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-2410844-A1 | INHIBITORS OF HEPATITIS C VIRUS REPLICATION | Merck Sharp & Dohme Corp. (US) | 2012-02-01 | — | — | EP | claimed |