Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 4/20 | 0.35 |
| ▸ | PPARG | P37231 | 2/20 | 0.34 |
| ▸ | PPARA | Q07869 | 2/20 | 0.34 |
| ▸ | AGTR2 | P50052 | 3/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2635929 | 0.83 | PPARG (0.35) | ATRPPARGPPARAPTPN1 | |
| SCHEMBL2635934 | 0.66 | ATR (0.53) | ATRPPARGPPARA | |
| SCHEMBL2635709 | 0.64 | ATR (0.55) | ATR | |
| SCHEMBL2637131 | 0.62 | ATM (0.39) | ATRPTPN1 | |
| SCHEMBL506418 | 0.59 | ATR (0.81) | ATR | |
| SCHEMBL2635705 | 0.58 | ATR (0.51) | ATR | |
| SCHEMBL2635675 | 0.57 | ATR (0.38) | ATRPPARA | |
| SCHEMBL2635523 | 0.57 | ATR (0.69) | ATR | |
| SCHEMBL22502725 | 0.57 | RAB9A (0.44) | CYP2C9 | |
| SCHEMBL2634728 | 0.56 | ATR (0.39) | ATR |
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 |