Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK3 | P27361 | 7/20 | 0.53 |
| ▸ | JAK3 | P52333 | 3/20 | 0.50 |
| ▸ | EGFR | P00533 | 6/20 | 0.48 |
| ▸ | ALK | Q9UM73 | 6/20 | 0.46 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.46 |
| ▸ | BTK | Q06187 | 2/20 | 0.46 |
| ▸ | GAK | O14976 | 1/20 | 0.46 |
| ▸ | FES | P07332 | 1/20 | 0.46 |
| ▸ | FER | P16591 | 1/20 | 0.46 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.46 |
| ▸ | TEC | P42680 | 1/20 | 0.46 |
| ▸ | CLK1 | P49759 | 1/20 | 0.46 |
| ▸ | TNK1 | Q13470 | 1/20 | 0.46 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | PAK4 | O96013 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21600758 | 0.94 | MAPK3 (0.54) | MAPK3JAK3EGFRALKPTK2 | |
| SCHEMBL30379344 | 0.94 | MAPK3 (0.54) | MAPK3JAK3EGFRALKPTK2 | |
| SCHEMBL21600986 | 0.90 | ALK (0.45) | MAPK3JAK3EGFRALKPTK2 | |
| SCHEMBL21600985 | 0.90 | JAK3 (0.49) | MAPK3JAK3EGFRALKPTK2 | |
| SCHEMBL21600889 | 0.90 | JAK3 (0.51) | MAPK3JAK3EGFRALKPTK2 | |
| SCHEMBL21600888 | 0.90 | JAK3 (0.51) | MAPK3JAK3EGFRALKPTK2 | |
| SCHEMBL28964858 | 0.89 | JAK3 (0.49) | MAPK3JAK3EGFRALKPTK2 | |
| SCHEMBL21600887 | 0.89 | JAK3 (0.50) | MAPK3JAK3EGFRALKPTK2 | |
| SCHEMBL21600916 | 0.88 | JAK3 (0.49) | MAPK3JAK3EGFRALKPTK2 | |
| SCHEMBL21600903 | 0.88 | FGFR4 (0.50) | MAPK3JAK3EGFRFGFR1 |
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 |