Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 17/20 | 0.52 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | JAK1 | P23458 | 1/20 | 0.47 |
| ▸ | TYK2 | P29597 | 1/20 | 0.47 |
| ▸ | JAK3 | P52333 | 1/20 | 0.47 |
| ▸ | PLK1 | P53350 | 1/20 | 0.47 |
| ▸ | INSR | P06213 | 1/20 | 0.46 |
| ▸ | IGF1R | P08069 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28531630 | 0.92 | MAPK3 (0.51) | EGFRJAK2JAK1TYK2JAK3 | |
| SCHEMBL21600938 | 0.91 | EGFR (0.50) | EGFRJAK2JAK1TYK2JAK3 | |
| SCHEMBL21600822 | 0.90 | EGFR (0.49) | EGFRJAK2JAK1TYK2JAK3 | |
| SCHEMBL21600984 | 0.87 | EGFR (0.47) | EGFRINSRIGF1RKCNH2MAPK3 | |
| SCHEMBL21600797 | 0.86 | EGFR (0.51) | EGFRJAK2JAK1TYK2JAK3 | |
| SCHEMBL28525553 | 0.85 | EGFR (0.53) | EGFRPLK1INSRIGF1RKCNH2 | |
| SCHEMBL21600815 | 0.84 | MAPK3 (0.44) | EGFRJAK3MAPK3MAPK1 | |
| SCHEMBL21600795 | 0.83 | JAK3 (0.51) | EGFRJAK3PLK1INSRIGF1R | |
| SCHEMBL21600990 | 0.82 | EGFR (0.57) | EGFRINSRIGF1RKCNH2 | |
| SCHEMBL21600838 | 0.82 | MAPK3 (0.45) | EGFRJAK3INSRIGF1RKCNH2 |
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-2019242689-A1 | CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2019-12-26 | — | — | WO | disclosed |