Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 20/20 | 0.58 |
| ▸ | PRKDC | P78527 | 2/20 | 0.57 |
| ▸ | GSK3B | P49841 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL3059588 | 1.00 | ATR (0.58) | ATRPRKDCGSK3B | |
| SCHEMBL3052043 | 0.94 | ATR (0.59) | ATRPRKDCGSK3B | |
| SCHEMBL3052605 | 0.92 | ATR (0.60) | ATRPRKDCGSK3B | |
| SCHEMBL3059730 | 0.91 | ATR (0.50) | ATRPRKDCGSK3B | |
| SCHEMBL3065670 | 0.91 | ATR (0.69) | ATRPRKDCGSK3B | |
| SCHEMBL29458590 | 0.90 | ATR (0.61) | ATRPRKDCGSK3B | |
| SCHEMBL16070087 | 0.90 | ATR (0.61) | ATRPRKDCGSK3B | |
| SCHEMBL3059791 | 0.90 | ATR (0.57) | ATRPRKDCGSK3B | |
| SCHEMBL3042729 | 0.88 | ATR (0.59) | ATRPRKDCGSK3B | |
| SCHEMBL29458664 | 0.88 | ATR (0.59) | ATRPRKDCGSK3B |
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-B1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMA (US) | 2022-02-16 | — | — | EP | disclosed |