Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 15/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16420530 | 0.89 | ATR (0.73) | ATR | |
| SCHEMBL17826142 | 0.87 | ATR (0.59) | ATRKDM4EHTTKDR | |
| SCHEMBL17826112 | 0.86 | ATR (0.55) | ATRKDM4ENPC1RAB9A | |
| SCHEMBL17826117 | 0.84 | ATR (0.57) | ATRKDM4EALDH1A1HTTHDAC1 | |
| SCHEMBL17826116 | 0.83 | ATR (0.59) | ATRKDRHDAC1 | |
| SCHEMBL17826113 | 0.82 | ATR (0.52) | ATR | |
| SCHEMBL17826122 | 0.82 | ATR (0.59) | ATRALDH1A1NPC1RAB9A | |
| SCHEMBL17826123 | 0.80 | ATR (0.57) | ATRALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL17826210 | 0.80 | ATR (0.59) | ATRKDM4EALDH1A1HTTL3MBTL1 | |
| SCHEMBL17826108 | 0.79 | ATR (0.46) | ATRNPC1RAB9A |
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 |