Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 9/20 | 0.54 |
| ▸ | PRMT6 | Q96LA8 | 2/20 | 0.32 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.30 |
| ▸ | F2 | P00734 | 1/20 | 0.30 |
| ▸ | F10 | P00742 | 1/20 | 0.30 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.30 |
| ▸ | XDH | P47989 | 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 | |
|---|---|---|---|---|
| SCHEMBL24681817 | 0.90 | ATR (0.63) | ATRACVR1 | |
| SCHEMBL20433148 | 0.87 | ATR (0.51) | ATRACVR1 | |
| SCHEMBL24681790 | 0.79 | ATR (0.58) | ATRACVR1XDH | |
| SCHEMBL20433209 | 0.77 | ATR (0.47) | ATRACVR1ROCK1 | |
| SCHEMBL24248192 | 0.76 | ATR (0.57) | ATRACVR1XDH | |
| SCHEMBL20432976 | 0.73 | ATR (0.55) | ATREPHX2 | |
| SCHEMBL20433508 | 0.73 | ATR (0.46) | ATRACVR1EPHX2 | |
| SCHEMBL24681422 | 0.73 | ATR (0.47) | ATRACVR1 | |
| SCHEMBL20433170 | 0.72 | ATR (0.46) | ATR | |
| SCHEMBL20432984 | 0.71 | ATR (0.60) | ATRACVR1F10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010071837-A1 | PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-06-24 | — | — | WO | disclosed |