Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 12/20 | 0.65 |
| ▸ | CDK2 | P24941 | 8/20 | 0.65 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14418893 | 0.91 | CDK2 (0.54) | GSK3BCDK2CYP1A2CYP3A4 | |
| SCHEMBL13305338 | 0.90 | CDK2 (0.79) | GSK3BCDK2CCNE1CYP1A2CYP3A4 | |
| SCHEMBL12953676 | 0.89 | GSK3B (0.82) | GSK3BCDK2CCNE1 | |
| SCHEMBL14050899 | 0.89 | GSK3B (0.50) | GSK3BCDK2CCNE1CYP1A2CYP3A4 | |
| SCHEMBL13289793 | 0.85 | CDK2 (0.52) | GSK3BCDK2CCNE1 | |
| SCHEMBL13304678 | 0.83 | GSK3B (0.67) | GSK3BCDK2CCNE1 | |
| SCHEMBL13304993 | 0.83 | CDK2 (0.53) | GSK3BCDK2 | |
| SCHEMBL12953652 | 0.83 | GSK3B (0.55) | GSK3BCDK2 | |
| SCHEMBL13305342 | 0.83 | CDK2 (0.53) | GSK3BCDK2 | |
| SCHEMBL14545261 | 0.83 | CDK2 (0.53) | GSK3BCDK2 |
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-2194058-A1 | Pyrazolopyrimidines suitable for the treatment of cancer diseases | SCHERING CORPORATION (US) | 2010-06-09 | — | — | EP | disclosed |