Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K12 | Q12852 | 6/20 | 0.46 |
| ▸ | CDK2 | P24941 | 12/20 | 0.44 |
| ▸ | CCNE1 | P24864 | 10/20 | 0.44 |
| ▸ | CCND1 | P24385 | 9/20 | 0.42 |
| ▸ | CDK1 | P06493 | 9/20 | 0.42 |
| ▸ | CDK4 | P11802 | 8/20 | 0.42 |
| ▸ | CDK6 | Q00534 | 7/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 7/20 | 0.42 |
| ▸ | CCND3 | P30281 | 6/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL625754 | 0.90 | MAP3K12 (0.40) | MAP3K12PIK3CA | |
| SCHEMBL626704 | 0.87 | CCNE1 (0.43) | CDK2CCNE1CCND1CDK1CDK4 | |
| SCHEMBL624428 | 0.87 | MAP3K12 (0.47) | MAP3K12PIK3CA | |
| SCHEMBL624394 | 0.86 | CCNE1 (0.41) | CDK2CCNE1CCND1CDK1CDK4 | |
| SCHEMBL625301 | 0.85 | MAP3K12 (0.44) | MAP3K12PIK3CA | |
| SCHEMBL626206 | 0.84 | PIK3CA (0.53) | MAP3K12PIK3CA | |
| SCHEMBL626165 | 0.84 | IDO1 (0.47) | CDK2CCNE1CCND1CDK1CDK4 | |
| SCHEMBL627397 | 0.84 | PIK3CA (0.49) | MAP3K12PIK3CA | |
| SCHEMBL625456 | 0.84 | MAP3K12 (0.41) | MAP3K12CDK2CCNE1CCND1CDK1 | |
| SCHEMBL625236 | 0.84 | MAP3K12 (0.45) | MAP3K12PIK3CA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012020215-A1 | AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS | CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) | 2012-02-16 | — | — | WO | disclosed |