Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
| ▸ | PRKDC | P78527 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | HTR5A | P47898 | 2/20 | 0.32 |
| ▸ | PRKACA | P17612 | 1/20 | 0.32 |
| ▸ | PRKACG | P22612 | 1/20 | 0.32 |
| ▸ | PRKACB | P22694 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17447903 | 0.96 | ADORA2A (0.36) | ADORA2AADORA1GAAGFERPIK3CD | |
| SCHEMBL17447896 | 0.85 | PIK3CD (0.45) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL17447898 | 0.85 | PIK3CD (0.45) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL17448011 | 0.82 | ALK (0.40) | ADORA2AADORA1GAAGFERPIK3CG | |
| SCHEMBL28400077 | 0.74 | CTSD (0.35) | GAAPIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL17447964 | 0.74 | CTSD (0.35) | GAAPIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL31278318 | 0.72 | PRKACA (0.46) | ADORA2AADORA1GAAGFERPRKACA | |
| SCHEMBL17448043 | 0.70 | NISCH (0.35) | PIK3CDPIK3CAPIK3CBPIK3CGPRKDC | |
| SCHEMBL17447930 | 0.67 | NISCH (0.44) | PRKACAPRKACGPRKACB | |
| SCHEMBL21877758 | 0.65 | PRKACA (0.38) | GAAGFERPRKACAPRKACGPRKACB |
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-106687446-B | 5-amino-4-carbamoyl-pyrazole compounds as selective and irreversible kinase inhibitors of T790M/WT-EGFR and uses thereof | 百济神州(北京)生物科技有限公司 | 2020-04-28 | — | — | CN | disclosed |