Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.40 |
| ▸ | EEF2K | O00418 | 1/20 | 0.40 |
| ▸ | PLK4 | O00444 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | AKT2 | P31751 | 1/20 | 0.40 |
| ▸ | CLK2 | P49760 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.40 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.40 |
| ▸ | NEK4 | P51957 | 1/20 | 0.40 |
| ▸ | PLK1 | P53350 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5159726 | 0.90 | CYP2C9 (0.42) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5159401 | 0.84 | CAPN1 (0.44) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5160100 | 0.84 | CAPN1 (0.41) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5162957 | 0.83 | CYP2C9 (0.55) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5157473 | 0.83 | CYP2C9 (0.48) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5162380 | 0.81 | CYP2C9 (0.52) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5161821 | 0.80 | CYP2C9 (0.66) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5157936 | 0.80 | CYP2C9 (0.40) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5157826 | 0.79 | CYP2C9 (0.48) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5159329 | 0.79 | CYP2C9 (0.58) | CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19 |
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-1133474-B1 | 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2007-02-21 | — | — | EP | claimed |