Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 16/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | PRKDC | P78527 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL561078 | 1.00 | ATR (0.51) | ATRALDH1A1HPGDSMN1; SMN2NPSR1 | |
| SCHEMBL560943 | 1.00 | ATR (0.51) | ATRALDH1A1HPGDSMN1; SMN2NPSR1 | |
| SCHEMBL10135179 | 1.00 | ATR (0.51) | ATRALDH1A1HPGDSMN1; SMN2NPSR1 | |
| SCHEMBL560941 | 1.00 | ATR (0.51) | ATRALDH1A1HPGDSMN1; SMN2NPSR1 | |
| SCHEMBL560942 | 1.00 | ATR (0.51) | ATRALDH1A1HPGDSMN1; SMN2NPSR1 | |
| SCHEMBL10135180 | 1.00 | ATR (0.51) | ATRALDH1A1HPGDSMN1; SMN2NPSR1 | |
| SCHEMBL561077 | 1.00 | ATR (0.51) | ATRALDH1A1HPGDSMN1; SMN2NPSR1 | |
| SCHEMBL560077 | 0.75 | ATR (0.61) | ATRALDH1A1HPGDSMN1; SMN2NPSR1 | |
| SCHEMBL559766 | 0.75 | ATR (0.63) | ATRALDH1A1HPGDSMN1; SMN2NPSR1 | |
| SCHEMBL5638605 | 0.74 | CHEK2 (0.66) | ALDH1A1HPGDSMN1; SMN2CHEK2 |
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-2569289-A1 | PYRAZINES USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2013-03-20 | — | — | EP | disclosed |
| WO-2011143419-A1 | PYRAZINES USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-17 | — | — | WO | disclosed |