Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOS1 | Q07889 | 1/20 | 0.39 |
| ▸ | SOS2 | Q07890 | 1/20 | 0.39 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7207583 | 0.84 | SOS1 (0.36) | SOS1SOS2 | |
| SCHEMBL28958265 | 0.80 | CHRM5 (0.32) | CHRM5CHRM3 | |
| Hydrochloric Acid SCHEMBL4606199 | 0.79 | CHRM5 (0.31) | CHRM5CHRM3 | |
| SCHEMBL12523367 | 0.75 | SOS1 (0.45) | SOS1SOS2 | |
| SCHEMBL24745284 | 0.72 | SOS1 (0.42) | SOS1SOS2 | |
| SCHEMBL21740318 | 0.72 | SOS1 (0.42) | SOS1SOS2 | |
| SCHEMBL25792483 | 0.70 | SOS1 (0.41) | SOS1SOS2 | |
| Bromide SCHEMBL7207572 | 0.70 | SOS1 (0.41) | SOS1SOS2 | |
| SCHEMBL6012604 | 0.69 | SOS1 (0.44) | SOS1SOS2 | |
| SCHEMBL29984958 | 0.68 | POLB (0.40) | SOS1SOS2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2370424-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2011-10-05 | — | — | EP | disclosed |
| WO-2010054398-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-14 | — | — | WO | disclosed |