Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 18/20 | 0.55 |
| ▸ | PRKDC | P78527 | 2/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | KIT | P10721 | 1/20 | 0.38 |
| ▸ | SERPINA2 | P20848 | 1/20 | 0.38 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.38 |
| ▸ | FLT4 | P35916 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | MAP3K9 | P80192 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | MERTK | Q12866 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20433209 | 0.89 | ATR (0.47) | ATRPRKDCJAK2ABL1KIT | |
| SCHEMBL20433508 | 0.86 | ATR (0.46) | ATRPRKDCJAK2ABL1KIT | |
| SCHEMBL24681817 | 0.83 | ATR (0.63) | ATRPRKDCJAK2ABL1KIT | |
| SCHEMBL24681422 | 0.82 | ATR (0.47) | ATRPRKDCJAK2ABL1KIT | |
| SCHEMBL13346024 | 0.81 | ATR (0.42) | ATRPRKDCJAK2ABL1KIT | |
| SCHEMBL20433073 | 0.80 | ATR (0.40) | ATR | |
| SCHEMBL18180941 | 0.78 | ATR (0.54) | ATRPRKDCJAK2ABL1KIT | |
| SCHEMBL18180887 | 0.78 | ATR (0.59) | ATRPRKDCJAK2ABL1KIT | |
| SCHEMBL20738799 | 0.78 | ATR (0.40) | ATRPRKDCJAK2ABL1KIT | |
| SCHEMBL18180908 | 0.77 | ATR (0.56) | ATRPRKDCJAK2ABL1KIT |
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-4059932-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2022-09-21 | — | — | EP | disclosed |
| EP-3354650-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2018-08-01 | — | — | EP | disclosed |