Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.43 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.43 |
| ▸ | GSK3A | P49840 | 1/20 | 0.43 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.43 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.43 |
| ▸ | KMO | O15229 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 5/20 | 0.40 |
| ▸ | HTR2C | P28335 | 5/20 | 0.40 |
| ▸ | HTR2B | P41595 | 4/20 | 0.40 |
| ▸ | HTR1A | P08908 | 3/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25273130 | 0.87 | CHEK1 (0.54) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL30410846 | 0.86 | CHEK1 (0.41) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL2144798 | 0.86 | CHEK1 (0.41) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL15653265 | 0.83 | KMO (0.40) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL14909632 | 0.81 | HTR2A (0.40) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL7253036 | 0.80 | KMO (0.46) | KMOHTR2AHTR2CHTR2BHTR1A | |
| SCHEMBL7571405 | 0.80 | KMO (0.37) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL30168550 | 0.79 | CHEK1 (0.38) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL15910832 | 0.79 | CHEK1 (0.38) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL7592164 | 0.77 | KMO (0.39) | CHEK1AURKADAPK3CSNK1A1GSK3A |
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-113896744-B | Selective EGFR inhibitor | 成都先导药物开发股份有限公司 | 2024-04-16 | — | — | CN | disclosed |