Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | CDC7 | O00311 | 3/20 | 0.43 |
| ▸ | GSK3A | P49840 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | FLT4 | P35916 | 1/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
| ▸ | CLK2 | P49760 | 1/20 | 0.40 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 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 | |
|---|---|---|---|---|
| SCHEMBL7256504 | 0.77 | JAK2 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL7255711 | 0.71 | ALPL (0.38) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL7255702 | 0.71 | ALPL (0.38) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL4498618 | 0.69 | GSK3B (0.61) | CYP1A2CDC7CDK2CDK1GSK3B | |
| SCHEMBL7132408 | 0.67 | GSK3B (0.60) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL1083779 | 0.66 | CYP1A2 (0.80) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL31691979 | 0.66 | MAPK1 (0.53) | MAPK1CDC7MAPK8CDK1ABL1 | |
| SCHEMBL1274224 | 0.66 | MAPK10 (0.61) | CDC7MAPK8EGFRAPP | |
| SCHEMBL1375621 | 0.65 | GSK3B (0.64) | CDC7ALDH1A1GBA1CDK2MAPK8 | |
| SCHEMBL4492484 | 0.65 | GSK3B (0.58) | CYP1A2CDC7CDK2CDK1GSK3B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003080616-A1 | PYRAZOLOPYRIDAZINE DERIVATIVES, PROCESS FOR PREPARATION AND USE FOR THE INHIBITION OF GSK-3 | GLAXO GROUP LIMITED (GB) | 2003-10-02 | — | — | WO | disclosed |