Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 18/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | PRKDC | P78527 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24681191 | 0.90 | ATR (0.53) | ATRGSK3BPRKDC | |
| SCHEMBL20432957 | 0.88 | ATR (0.42) | ATRGSK3BPRKDC | |
| SCHEMBL13346608 | 0.86 | ATR (0.41) | ATRGSK3BPRKDC | |
| SCHEMBL2480925 | 0.83 | ATR (0.70) | ATRGSK3BPRKDC | |
| SCHEMBL13138035 | 0.82 | ATR (0.54) | ATRGSK3BPRKDC | |
| SCHEMBL20433368 | 0.79 | ATR (0.52) | ATRGSK3BPRKDC | |
| SCHEMBL16424940 | 0.78 | ATR (0.65) | ATRGSK3BPRKDC | |
| SCHEMBL20433344 | 0.78 | ATR (0.58) | ATRGSK3BPRKDC | |
| SCHEMBL20433143 | 0.78 | ATR (0.47) | ATRGSK3BPRKDC | |
| SCHEMBL13138044 | 0.77 | ATR (0.57) | ATRGSK3BPRKDC |
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-4059932-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2022-09-21 | — | — | EP | disclosed |