Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.47 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.47 |
| ▸ | GSK3A | P49840 | 1/20 | 0.47 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.47 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.47 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.47 |
| ▸ | KMO | O15229 | 8/20 | 0.43 |
| ▸ | HTR2A | P28223 | 5/20 | 0.41 |
| ▸ | HTR2C | P28335 | 5/20 | 0.41 |
| ▸ | HTR2B | P41595 | 4/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27593382 | 0.89 | CHEK1 (0.57) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL3980684 | 0.81 | HTR2A (0.47) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL28140026 | 0.78 | KMO (0.47) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL655557 | 0.78 | KMO (0.48) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL13727172 | 0.77 | KMO (0.52) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL655269 | 0.76 | KMO (0.54) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL18031893 | 0.76 | HTR2A (0.40) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL217944 | 0.76 | HTR2A (0.45) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL31039602 | 0.76 | HTR2A (0.45) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL13726783 | 0.75 | KMO (0.48) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100348196-C | Benzotriaza * as gastrin and cholecystokinin receptor ligands | BLACK JAMES FOUNDATION (GB) | 2007-11-14 | — | — | CN | disclosed |
| CN-1585643-A | Benzotriazepines as gastrin and cholecystokinin receptor ligands | BLACK JAMES FOUNDATION (GB) | 2005-02-23 | — | — | CN | disclosed |