Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 18/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 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 | |
|---|---|---|---|---|
| SCHEMBL696623 | 0.87 | GSK3B (0.51) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL696646 | 0.75 | GSK3B (0.47) | GSK3BCYP2D6CYP1A2KDM1A | |
| SCHEMBL8235283 | 0.73 | GSK3B (0.42) | GSK3BCYP2D6CYP1A2KDM1A | |
| SCHEMBL697698 | 0.72 | GSK3B (0.51) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL698209 | 0.72 | GSK3B (0.51) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL698411 | 0.72 | GSK3B (0.51) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL8227103 | 0.71 | GSK3B (0.46) | GSK3BCYP2D6CYP1A2KDM1A | |
| SCHEMBL8232926 | 0.70 | GSK3B (0.48) | GSK3BCYP2D6CYP1A2KDM1A | |
| SCHEMBL8234209 | 0.70 | GSK3B (0.48) | GSK3BCYP2D6CYP1A2KDM1A | |
| SCHEMBL8231807 | 0.68 | GSK3B (0.51) | GSK3BCYP2D6CYP1A2 |
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 |