Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | TYRO3 | Q06418 | 7/20 | 0.34 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.34 |
| ▸ | MET | P08581 | 2/20 | 0.34 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CCND1 | P24385 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR1F | P30939 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27875132 | 0.90 | ATR (0.40) | ATRJAK2JAK1JAK3MAPKAPK2 | |
| SCHEMBL28042358 | 0.78 | MAP3K12 (0.38) | METMAPK1 | |
| SCHEMBL614867 | 0.77 | ATR (0.47) | HRH4ATRJAK2JAK1JAK3 | |
| SCHEMBL28784480 | 0.75 | PLAT (0.34) | HRH4JAK2JAK1JAK3PARP1 | |
| SCHEMBL28944517 | 0.74 | GRM5 (0.39) | MAPKAPK2 | |
| SCHEMBL28042584 | 0.72 | MAPKAPK2 (0.43) | HRH4ATRMAPKAPK2MAPK1PARP1 | |
| SCHEMBL16679616 | 0.71 | HRH4 (0.46) | HRH4ATRMAPKAPK2CDK2 | |
| SCHEMBL27847746 | 0.71 | HRH4 (0.50) | HRH4ATRMAPKAPK2CDK1CDK2 | |
| SCHEMBL27517890 | 0.70 | ATR (0.39) | ATR | |
| SCHEMBL30067870 | 0.70 | MAPKAPK2 (0.36) | ATRJAK2JAK1JAK3TYRO3 |
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 |