Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 18/20 | 1.00 |
| ▸ | CDK2 | P24941 | 16/20 | 1.00 |
| ▸ | MAPK1 | P28482 | 9/20 | 1.00 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.65 |
| ▸ | FLT3 | P36888 | 1/20 | 0.65 |
| ▸ | GSK3A | P49840 | 1/20 | 0.65 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.65 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL14368142 | 0.92 | AURKA (0.84) | AURKACDK2MAPK1MAP3K7FLT3 | |
| SCHEMBL14368152 | 0.89 | AURKA (0.80) | AURKACDK2MAPK1MAP3K7FLT3 | |
| SCHEMBL14368146 | 0.89 | AURKA (0.80) | AURKACDK2MAPK1MAP3K7FLT3 | |
| SCHEMBL13921421 | 0.89 | AURKA (1.00) | AURKACDK2MAPK1MAP3K7FLT3 | |
| SCHEMBL13921420 | 0.89 | AURKA (0.85) | AURKACDK2MAPK1MAP3K7FLT3 | |
| SCHEMBL14368140 | 0.88 | AURKA (0.79) | AURKACDK2MAPK1MAP3K7FLT3 | |
| SCHEMBL12020890 | 0.88 | AURKA (0.78) | AURKACDK2MAPK1MAP3K7FLT3 | |
| SCHEMBL14368155 | 0.88 | AURKA (0.78) | AURKACDK2MAPK1MAP3K7FLT3 | |
| SCHEMBL13921423 | 0.87 | AURKA (0.82) | AURKACDK2MAPK1MAP3K7FLT3 | |
| SCHEMBL14368147 | 0.87 | AURKA (0.77) | AURKACDK2MAPK1MAP3K7FLT3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110129896-A1 | INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3Beta PROTEIN AND PROTEIN COMPLEXES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-02 | — | — | US | disclosed |
| EP-2295550-A2 | Crystal structures of GSK-3beta protein and protein complexes and their use. | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-16 | — | — | EP | disclosed |
| US-7883881-B2 | Unphosphorylated glycogen synthase kinase-3-g-beta (GSK) from baculovirus overexpression system; competitive binding; diabetes, Alzheimer's disease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-02-08 | — | — | US | disclosed |