Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 18/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL697459 | 1.00 | GSK3B (0.53) | GSK3BCYP2D6CYP1A2ROCK2CYP3A4 | |
| SCHEMBL88507 | 0.95 | ROCK2 (0.53) | GSK3BCYP2D6CYP1A2ROCK2CYP3A4 | |
| SCHEMBL8232344 | 0.86 | GSK3B (0.62) | GSK3BCYP2D6CYP1A2CYP3A4 | |
| SCHEMBL695308 | 0.86 | GSK3B (0.62) | GSK3BCYP2D6CYP1A2CYP3A4 | |
| SCHEMBL699010 | 0.86 | GSK3B (0.54) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL88156 | 0.85 | GSK3B (0.51) | GSK3BCYP2D6CYP1A2ROCK2CYP3A4 | |
| SCHEMBL698073 | 0.85 | GSK3B (0.64) | GSK3BCYP2D6CYP1A2CYP3A4 | |
| SCHEMBL8235419 | 0.85 | GSK3B (0.64) | GSK3BCYP2D6CYP1A2CYP3A4 | |
| SCHEMBL87814 | 0.82 | GSK3B (0.49) | GSK3BCYP2D6CYP1A2ROCK2 | |
| SCHEMBL8344265 | 0.81 | GSK3B (0.59) | GSK3BCYP2D6CYP1A2CYP3A4 |
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-2423207-A2 | 2-(cyclic amino)-pyrimidone derivatives as TPK1 inhibitors | Mitsubishi Tanabe Pharma Corporation (JP) | 2012-02-29 | — | — | EP | disclosed |