Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SYK | P43405 | 15/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
| ▸ | CLK2 | P49760 | 1/20 | 0.36 |
| ▸ | CLK3 | P49761 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | PAK4 | O96013 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19905058 | 0.94 | CYP1A2 (0.38) | SYKUSP2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL20373325 | 0.89 | CYP1A2 (0.38) | USP2ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19905368 | 0.88 | WNT1 (0.36) | DYRK1AGSK3BCLK2CLK3USP2 | |
| SCHEMBL19355285 | 0.88 | PRKDC (0.40) | SYKROCK2ROCK1DYRK1AGSK3B | |
| SCHEMBL19905140 | 0.87 | CYP1A2 (0.37) | ROCK2ROCK1DYRK1AGSK3BCLK2 | |
| SCHEMBL19355574 | 0.86 | GPR39 (0.39) | SYKROCK2ROCK1USP2ALDH1A1 | |
| SCHEMBL17634663 | 0.85 | PRKDC (0.47) | SYKROCK2ROCK1DYRK1AGSK3B | |
| SCHEMBL19819884 | 0.85 | CYP1A2 (0.38) | USP2ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19355474 | 0.85 | DYRK1A (0.39) | DYRK1AGSK3BCLK2CLK3USP2 | |
| SCHEMBL19355542 | 0.85 | CYP1A2 (0.39) | ROCK2GSK3BUSP2ALDH1A1CYP1A2 |
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-3057959-B1 | DNA-PK INHIBITORS | VERTEX PHARMA (US) | 2018-02-28 | — | — | EP | disclosed |