Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 2/20 | 0.32 |
| ▸ | MTOR | P42345 | 2/20 | 0.32 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.30 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13869068 | 0.85 | SLC6A3 (0.32) | PIK3CAMTORCSNK2A2CSNK2A1SLC6A3 | |
| SCHEMBL13869024 | 0.83 | NTRK1 (0.37) | PIK3CAMTOR | |
| SCHEMBL12283330 | 0.70 | CSNK2A2 (0.43) | CSNK2A2CSNK2A1 | |
| SCHEMBL13869025 | 0.68 | NTRK1 (0.50) | CSNK2A2CSNK2A1 | |
| SCHEMBL14537224 | 0.68 | CSNK2A2 (0.43) | CSNK2A2CSNK2A1 | |
| SCHEMBL12365653 | 0.67 | MAPK1 (0.38) | — | |
| SCHEMBL13869022 | 0.66 | KDR (0.37) | — | |
| SCHEMBL14537332 | 0.65 | CYP1A2 (0.32) | — | |
| SCHEMBL18816887 | 0.65 | PIK3C3 (0.38) | PIK3CAMTORSLC6A3 | |
| SCHEMBL13869076 | 0.65 | CSNK2A2 (0.39) | PIK3CAMTORCSNK2A2CSNK2A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011123493-A1 | SUBSTITUTED PYRROLOTRIAZINES AS PROTEIN KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-10-06 | — | — | WO | disclosed |