Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | PPARA | Q07869 | 2/20 | 0.35 |
| ▸ | ATR | Q13535 | 4/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 6/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2635099 | 0.85 | ATR (0.39) | PPARGPPARAATRGSK3BATM | |
| SCHEMBL2635934 | 0.84 | ATR (0.53) | PPARGPPARAATRGSK3BATM | |
| SCHEMBL2635931 | 0.83 | ATR (0.35) | PPARGPPARAATRPTPN1 | |
| SCHEMBL506093 | 0.68 | ATR (0.59) | PPARGPPARAATRATM | |
| SCHEMBL2636323 | 0.65 | ATR (0.33) | ATR | |
| SCHEMBL2635697 | 0.65 | AKT1 (0.35) | ATR | |
| SCHEMBL2635709 | 0.64 | ATR (0.55) | ATRGSK3BATM | |
| SCHEMBL14833134 | 0.64 | ATR (0.53) | ATRGSK3BATM | |
| SCHEMBL617375 | 0.60 | POLB (0.46) | ATR | |
| SCHEMBL2486946 | 0.60 | ATR (0.52) | ATRGSK3BATM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2569313-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2013-03-20 | — | — | EP | disclosed |
| WO-2011143426-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-17 | — | — | WO | disclosed |