Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 20/20 | 0.80 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL698686 | 1.00 | GSK3B (0.80) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL8227122 | 0.91 | GSK3B (0.91) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL695311 | 0.90 | GSK3B (0.85) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL8231852 | 0.89 | GSK3B (0.84) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL8234777 | 0.89 | GSK3B (0.84) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL13711440 | 0.89 | GSK3B (1.00) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL698100 | 0.87 | GSK3B (0.81) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL697002 | 0.87 | GSK3B (0.81) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL696968 | 0.87 | GSK3B (0.81) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL697492 | 0.87 | GSK3B (0.81) | 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 |