Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 3/20 | 0.52 |
| ▸ | WEE1 | P30291 | 2/20 | 0.52 |
| ▸ | JAK3 | P52333 | 2/20 | 0.52 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.52 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.52 |
| ▸ | AURKA | O14965 | 1/20 | 0.52 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.52 |
| ▸ | JAK2 | O60674 | 1/20 | 0.52 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.52 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.52 |
| ▸ | PAK4 | O96013 | 1/20 | 0.52 |
| ▸ | LCK | P06239 | 1/20 | 0.52 |
| ▸ | FYN | P06241 | 1/20 | 0.52 |
| ▸ | CSF1R | P07333 | 1/20 | 0.52 |
| ▸ | RET | P07949 | 1/20 | 0.52 |
| ▸ | IGF1R | P08069 | 1/20 | 0.52 |
| ▸ | PIM1 | P11309 | 1/20 | 0.52 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.52 |
| ▸ | PRKACA | P17612 | 1/20 | 0.52 |
| ▸ | FLT1 | P17948 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28539737 | 0.94 | ALK (0.52) | ALKWEE1JAK3PDGFRALRRK2 | |
| SCHEMBL30379995 | 0.94 | ALK (0.52) | ALKWEE1JAK3PDGFRALRRK2 | |
| SCHEMBL21596348 | 0.92 | ALK (0.54) | ALKWEE1JAK3PDGFRALRRK2 | |
| SCHEMBL21600830 | 0.92 | ALK (0.51) | ALKWEE1JAK3PDGFRALRRK2 | |
| SCHEMBL21600852 | 0.90 | ALK (0.52) | ALKWEE1JAK3PDGFRALRRK2 | |
| SCHEMBL21596366 | 0.88 | LRRK2 (0.46) | ALKWEE1JAK3PDGFRALRRK2 | |
| SCHEMBL21600807 | 0.88 | JAK3 (0.54) | ALKWEE1JAK3PDGFRALRRK2 | |
| SCHEMBL21600863 | 0.88 | ALK (0.49) | ALKWEE1JAK3PDGFRALRRK2 | |
| SCHEMBL21596990 | 0.87 | WEE1 (0.50) | ALKWEE1JAK3PDGFRALRRK2 | |
| SCHEMBL21596373 | 0.86 | MAPK3 (0.47) | ALKWEE1JAK3PDGFRALRRK2 |
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 2 patents. 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 |
| 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 |