Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 4/20 | 0.30 |
| ▸ | HCAR2 | Q8TDS4 | 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 | |
|---|---|---|---|---|
| SCHEMBL17448045 | 0.92 | ROCK2 (0.36) | TRPV1RIPK1AHRPIK3CA | |
| SCHEMBL17447977 | 0.85 | NISCH (0.37) | TRPV1AHRMAPK1 | |
| SCHEMBL17447916 | 0.73 | NISCH (0.46) | MAPK1 | |
| SCHEMBL17447920 | 0.72 | PIK3CD (0.44) | PIK3CAHCAR2 | |
| SCHEMBL17447928 | 0.72 | PIK3CD (0.44) | PIK3CAHCAR2 | |
| SCHEMBL17448011 | 0.72 | ALK (0.40) | ADRA2A | |
| SCHEMBL17447829 | 0.69 | BTK (0.54) | — | |
| SCHEMBL28395583 | 0.69 | BTK (0.37) | — | |
| SCHEMBL17447842 | 0.69 | BTK (0.37) | — | |
| SCHEMBL17443381 | 0.68 | PDE8B (0.40) | RIPK1ADRA2A |
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 |