Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | PIK3CG | P48736 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17448043 | 0.84 | NISCH (0.35) | ROCK2PIK3CG | |
| SCHEMBL17447903 | 0.83 | ADORA2A (0.36) | ALKADORA2AADORA1GAAGFER | |
| SCHEMBL28391913 | 0.82 | ADORA2A (0.36) | ALKADORA2AADORA1GAAGFER | |
| SCHEMBL17448045 | 0.80 | ROCK2 (0.36) | ALKROCK2 | |
| SCHEMBL17447930 | 0.73 | NISCH (0.44) | ROCK2 | |
| SCHEMBL17447898 | 0.72 | PIK3CD (0.45) | ALKPIK3CG | |
| SCHEMBL17447896 | 0.72 | PIK3CD (0.45) | ALKPIK3CG | |
| SCHEMBL17448006 | 0.72 | TRPV1 (0.33) | ADRA2A | |
| SCHEMBL31278318 | 0.69 | PRKACA (0.46) | ADORA2AADORA1GAAGFER | |
| SCHEMBL31278050 | 0.69 | PRKACA (0.39) | — |
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-2016008411-A1 | 5-AMINO-4-CARBAMOYL-PYRAZOLE COMPOUNDS AS SELECTIVE AND IRREVERSIBLE T790M OVER WT-EGFR KINASE INHIBITORS AND USE THEREOF | BEIGENE, LTD. (KY) | 2016-01-21 | — | — | WO | disclosed |