Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 18/20 | 0.38 |
| ▸ | PRKDC | P78527 | 5/20 | 0.33 |
| ▸ | GSK3B | P49841 | 3/20 | 0.33 |
| ▸ | ATM | Q13315 | 7/20 | 0.32 |
| ▸ | LDHA | P00338 | 1/20 | 0.31 |
| ▸ | LDHB | P07195 | 1/20 | 0.31 |
| ▸ | NEK2 | P51955 | 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 | |
|---|---|---|---|---|
| SCHEMBL20433561 | 0.76 | ATR (0.38) | ATRPRKDCGSK3BATMNEK2 | |
| SCHEMBL20433412 | 0.66 | ATR (0.30) | ATR | |
| SCHEMBL13138258 | 0.66 | ATR (0.75) | ATRPRKDCGSK3B | |
| SCHEMBL19868625 | 0.63 | ATR (0.74) | ATRPRKDCATM | |
| SCHEMBL20433360 | 0.62 | ATR (0.33) | ATR | |
| SCHEMBL2679780 | 0.62 | NEK2 (0.49) | ATRPRKDCGSK3BATMNEK2 | |
| SCHEMBL20433433 | 0.62 | ATR (0.69) | ATRPRKDCATM | |
| SCHEMBL2480925 | 0.58 | ATR (0.70) | ATRPRKDCGSK3B | |
| SCHEMBL10306515 | 0.57 | ATR (0.44) | ATRPRKDCNEK2 | |
| SCHEMBL10309251 | 0.57 | ACVR1 (0.36) | ATRPRKDCGSK3BATMLDHA |
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 |