Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 14/20 | 0.61 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CDK2 | P24941 | 4/20 | 0.48 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL13289363 | 0.95 | GSK3B (0.58) | GSK3BCHEK1ALDH1A1CYP2C9TSHR | |
| SCHEMBL13305374 | 0.93 | GSK3B (0.61) | GSK3BCHEK1CDK2CCNE1 | |
| SCHEMBL13304974 | 0.91 | GSK3B (0.59) | GSK3BCHEK1CDK2CCNE1 | |
| SCHEMBL13304920 | 0.91 | GSK3B (0.59) | GSK3BCHEK1CDK2CCNE1 | |
| SCHEMBL13120499 | 0.90 | GSK3B (0.78) | GSK3BCDK2CCNE1 | |
| SCHEMBL13289097 | 0.89 | GSK3B (0.59) | GSK3BCHEK1TSHRCDK2CCNE1 | |
| SCHEMBL14545841 | 0.89 | GSK3B (0.56) | GSK3BCHEK1CYP2C9CYP2C19 | |
| SCHEMBL12954475 | 0.88 | GSK3B (0.58) | GSK3BCHEK1CYP2C9TSHRCYP2C19 | |
| SCHEMBL14545270 | 0.88 | GSK3B (0.67) | GSK3BCHEK1CDK2CCNE1 | |
| SCHEMBL13146324 | 0.88 | GSK3B (0.77) | GSK3BCHEK1CDK2CCNE1 |
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 |