Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.54 |
| ▸ | AURKA | O14965 | 1/20 | 0.54 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.54 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.54 |
| ▸ | GSK3A | P49840 | 1/20 | 0.54 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.54 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.54 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.54 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.54 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.54 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | SHMT2 | P34897 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.45 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.45 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5407783 | 0.78 | CHEK1 (0.49) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL19780078 | 0.78 | CHEK1 (0.51) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL680218 | 0.77 | CHEK1 (0.48) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL21797005 | 0.76 | CHEK1 (0.47) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL26053980 | 0.76 | CHEK1 (0.57) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL29288245 | 0.75 | ALDH1A1 (0.40) | RAB9ANPC1SHMT2GAACASP3 | |
| SCHEMBL18578596 | 0.75 | HSP90AB1 (0.41) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL22359419 | 0.75 | CHEK1 (0.43) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL16022869 | 0.75 | MAPK14 (0.46) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL5413013 | 0.74 | CHEK1 (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 |
|---|---|---|---|---|---|---|---|
| WO-2008089436-A2 | CRYSTALLINE FORMS OF HISTONE DEACETYLASE INHIBITORS | TAKEDA SAN DIEGO, INC. (US) | 2008-07-24 | — | — | WO | disclosed |
| WO-2008089436-A2 | CRYSTALLINE FORMS OF HISTONE DEACETYLASE INHIBITORS | TAKEDA SAN DIEGO, INC. (US) | 2008-07-24 | — | — | WO | disclosed |