Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 11/20 | 0.46 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 2/20 | 0.32 |
| ▸ | ATM | Q13315 | 2/20 | 0.32 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.32 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.32 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | KIT | P10721 | 1/20 | 0.31 |
| ▸ | SERPINA2 | P20848 | 1/20 | 0.31 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.31 |
| ▸ | FLT4 | P35916 | 1/20 | 0.31 |
| ▸ | FLT3 | P36888 | 1/20 | 0.31 |
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) | ATRPRKDCATMACVR1JAK2 | |
| SCHEMBL20432976 | 0.86 | ATR (0.55) | ATREPHX2PRKDCATMJAK2 | |
| SCHEMBL24681817 | 0.83 | ATR (0.63) | ATRPRKDCATMACVR1JAK2 | |
| SCHEMBL24681422 | 0.82 | ATR (0.47) | ATRPRKDCATMACVR1JAK2 | |
| SCHEMBL20433073 | 0.78 | ATR (0.40) | ATRACVR1PARP1PARP2 | |
| SCHEMBL13346024 | 0.77 | ATR (0.42) | ATRPRKDCATMJAK2ABL1 | |
| SCHEMBL20433187 | 0.77 | ATR (0.43) | ATRDGAT1PIK3CAMTOR | |
| SCHEMBL20433235 | 0.75 | ATR (0.40) | ATRPRKDCATMJAK2ABL1 | |
| SCHEMBL20738799 | 0.74 | ATR (0.40) | ATRPRKDCATMJAK2ABL1 | |
| SCHEMBL13347142 | 0.73 | ATR (0.54) | ATREPHX2ACVR1 |
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 |