Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CMA1 | P23946 | 7/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CTRC | Q99895 | 4/20 | 0.42 |
| ▸ | JAK2 | O60674 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL16291124 | 1.00 | KCNH2 (0.62) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL20952254 | 1.00 | KCNH2 (0.62) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL475256 | 1.00 | KCNH2 (0.62) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL894917 | 0.94 | KCNH2 (0.62) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL20952514 | 0.94 | KCNH2 (0.62) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL24732245 | 0.94 | KCNH2 (0.60) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL16290821 | 0.94 | KCNH2 (0.62) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL10223689 | 0.93 | KCNH2 (0.58) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL10222828 | 0.92 | KCNH2 (0.58) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL16199243 | 0.92 | KCNH2 (0.61) | 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 |