Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 14/20 | 0.56 |
| ▸ | PRKDC | P78527 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.32 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.30 |
| ▸ | PIM2 | Q9P1W9 | 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 | |
|---|---|---|---|---|
| SCHEMBL16420564 | 0.89 | ATR (0.58) | ATR | |
| SCHEMBL16420536 | 0.87 | ATR (0.56) | ATRKDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL16420587 | 0.87 | ATR (0.73) | ATRKDM4EALDH1A1 | |
| SCHEMBL17826566 | 0.83 | ATR (0.79) | ATRPRKDCATM | |
| SCHEMBL16420539 | 0.82 | ATR (0.39) | ATRPRKDCATMPARP1PARP2 | |
| SCHEMBL16420684 | 0.77 | ATR (0.43) | ATRPRKDCATMKDM4ENPC1 | |
| SCHEMBL19672838 | 0.73 | ATR (0.75) | ATRPRKDC | |
| SCHEMBL16424903 | 0.73 | ATR (0.81) | ATRPRKDC | |
| SCHEMBL16424870 | 0.72 | ATR (0.79) | ATRPRKDC | |
| SCHEMBL16424850 | 0.72 | ATR (1.00) | ATRPRKDC |
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 |
|---|---|---|---|---|---|---|---|
| US-9365557-B2 | Substituted pyrazin-2-amines as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-06-14 | — | — | US | disclosed |