Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.38 |
| ▸ | TRPC6 | Q9Y210 | 1/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 10/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.35 |
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 | 0.84 | ATR (0.40) | MAP3K12MAPK1 | |
| SCHEMBL28076399 | 0.81 | EPHX2 (0.39) | MAP3K12TRPC6MAPK1RIPK1MET | |
| SCHEMBL617266 | 0.81 | ATR (0.42) | MAP3K12TRPC6PIK3CDMAPK1 | |
| SCHEMBL28042583 | 0.78 | HRH4 (0.38) | MAPK1MET | |
| SCHEMBL28042359 | 0.78 | MAPKAPK2 (0.39) | MAP3K12TRPC6PIK3CDMAPK1RIPK1 | |
| SCHEMBL615145 | 0.78 | ATR (0.47) | TRPC6PIK3CDMAPK1 | |
| SCHEMBL28776119 | 0.69 | MAPT (0.44) | MAPK1 | |
| SCHEMBL16678995 | 0.69 | MAPK1 (0.44) | MAP3K12PIK3CDMAPK1 | |
| SCHEMBL27926722 | 0.69 | TRPC6 (0.51) | TRPC6RIPK1 | |
| SCHEMBL28042291 | 0.69 | EPHX2 (0.38) | TRPC6 |
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 |