Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 11/20 | 0.68 |
| ▸ | CCNE2 | O96020 | 10/20 | 0.68 |
| ▸ | CCNE1 | P24864 | 10/20 | 0.68 |
| ▸ | CDK2 | P24941 | 10/20 | 0.68 |
| ▸ | ATR | Q13535 | 9/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | PRKDC | P78527 | 2/20 | 0.60 |
| ▸ | GSK3A | P49840 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL2226141 | 0.93 | GSK3B (0.72) | GSK3BCCNE2CCNE1CDK2ATR | |
| SCHEMBL411857 | 0.91 | GSK3B (0.70) | GSK3BCCNE2CCNE1CDK2ATR | |
| SCHEMBL413176 | 0.89 | GSK3B (0.67) | GSK3BCCNE2CCNE1CDK2ATR | |
| SCHEMBL9907070 | 0.89 | ATR (0.80) | GSK3BCCNE2CCNE1CDK2ATR | |
| SCHEMBL2226149 | 0.88 | GSK3B (0.71) | GSK3BCCNE2CCNE1CDK2ATR | |
| SCHEMBL6616616 | 0.85 | ATR (0.78) | GSK3BCCNE2CCNE1CDK2ATR | |
| SCHEMBL9907069 | 0.85 | GSK3B (0.70) | GSK3BCCNE2CCNE1CDK2ATR | |
| SCHEMBL6615544 | 0.85 | ATR (0.88) | GSK3BCCNE2CCNE1CDK2ATR | |
| SCHEMBL412212 | 0.84 | GSK3B (0.66) | GSK3BCCNE2CCNE1CDK2ATR | |
| SCHEMBL407802 | 0.84 | GSK3B (0.71) | GSK3BCCNE2CCNE1CDK2ATR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011089416-A1 | PYRAZINE DERIVATIVES | ASTRAZENECA AB (SE) | 2011-07-28 | — | — | WO | disclosed |