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 | 0.39 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | GLS | O94925 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2925874 | 0.78 | CHEK1 (0.50) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL520824 | 0.77 | HDAC3 (0.54) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL14320695 | 0.76 | CHEK1 (0.48) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL8682171 | 0.75 | SIRT2 (0.42) | HDAC2HDAC3KDM4E | |
| SCHEMBL14908603 | 0.75 | CHEK1 (0.46) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL29200969 | 0.75 | CHEK1 (0.50) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL29377819 | 0.75 | CHEK1 (0.46) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL31350951 | 0.74 | CHEK1 (0.33) | CHEK1HDAC2HDAC3HTR2AHTR2C | |
| SCHEMBL15508807 | 0.73 | KDM4C (0.44) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL538977 | 0.73 | MCHR1 (0.53) | MCHR2MCHR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0843671-A1 | HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | GLAXO GROUP LIMITED (GB) | 1998-05-27 | — | — | EP | disclosed |
| WO-1997003069-A1 | HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | GLAXO GROUP LIMITED (GB) | 1997-01-30 | — | — | WO | disclosed |