Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPKAPK2 | P49137 | 8/20 | 0.43 |
| ▸ | ATR | Q13535 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 7/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
| ▸ | MERTK | Q12866 | 1/20 | 0.33 |
| ▸ | MAP4K3 | Q8IVH8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28042359 | 0.78 | MAPKAPK2 (0.39) | MAPKAPK2ATRMAPK1 | |
| SCHEMBL28784481 | 0.74 | HRH4 (0.33) | HRH4PARP1 | |
| SCHEMBL614867 | 0.73 | ATR (0.47) | ATRHRH4 | |
| SCHEMBL16679616 | 0.72 | HRH4 (0.46) | MAPKAPK2ATRHRH4MAP4K3 | |
| SCHEMBL27847746 | 0.72 | HRH4 (0.50) | MAPKAPK2ATRHRH4MAP4K3 | |
| SCHEMBL28042583 | 0.72 | HRH4 (0.38) | MAPKAPK2ATRHRH4MAPK1PARP1 | |
| SCHEMBL28944518 | 0.71 | MAPKAPK2 (0.46) | MAPKAPK2 | |
| SCHEMBL27517892 | 0.70 | ATR (0.43) | MAPKAPK2ATR | |
| SCHEMBL27763063 | 0.68 | GABRA5 (0.40) | MAPKAPK2 | |
| SCHEMBL27766468 | 0.68 | GABRP (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102264721-B | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INC. (US) | 2015-12-09 | — | — | CN | disclosed |