Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 18/20 | 0.53 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | PPARA | Q07869 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL506093 | 0.85 | ATR (0.59) | ATRPPARGPPARAATM | |
| SCHEMBL2635929 | 0.84 | PPARG (0.35) | ATRPPARGPPARAATMGSK3B | |
| SCHEMBL506418 | 0.78 | ATR (0.81) | ATRATMGSK3B | |
| SCHEMBL2635917 | 0.70 | ATR (0.59) | ATRATMGSK3B | |
| SCHEMBL506116 | 0.70 | ATR (1.00) | ATRATMGSK3B | |
| SCHEMBL506577 | 0.69 | ATR (0.56) | ATR | |
| SCHEMBL506088 | 0.69 | ATR (0.49) | ATRATMGSK3B | |
| SCHEMBL505923 | 0.69 | ATR (0.49) | ATRATMGSK3B | |
| SCHEMBL10230603 | 0.69 | ATR (1.00) | ATRATMGSK3B | |
| SCHEMBL2635099 | 0.68 | ATR (0.39) | ATRPPARGPPARAATMGSK3B |
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 |