Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 7/20 | 0.47 |
| ▸ | ACVR1 | Q04771 | 11/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24681206 | 0.90 | ATR (0.42) | ATRACVR1MAPK1PIK3CDPIK3CA | |
| SCHEMBL13138328 | 0.78 | ATR (0.40) | ATRACVR1PRKDCATMPIK3CD | |
| SCHEMBL13138342 | 0.76 | ATR (0.48) | ATRACVR1MAPK1PRKDCATM | |
| SCHEMBL13138334 | 0.73 | ATR (0.40) | ATRACVR1MAPK1PRKDCATM | |
| SCHEMBL13138344 | 0.73 | ATR (0.41) | ATRACVR1MAPK1PRKDCATM | |
| SCHEMBL18180888 | 0.71 | ATR (0.51) | ATRPRKDCATMPIK3CA | |
| SCHEMBL13138318 | 0.71 | ATR (0.39) | ATRACVR1MAPK1ATM | |
| SCHEMBL19672688 | 0.71 | ATR (0.47) | ATR | |
| SCHEMBL24248217 | 0.66 | ATR (0.60) | ATR | |
| SCHEMBL13138043 | 0.66 | ATR (0.81) | ATRACVR1PRKDCATM |
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-3354650-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2018-08-01 | — | — | EP | disclosed |