Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K12 | Q12852 | 19/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | DLK1 | P80370 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL626637 | 0.90 | MAP3K12 (0.47) | MAP3K12PIK3CADLK1 | |
| SCHEMBL627783 | 0.86 | MAP3K12 (0.46) | MAP3K12PIK3CADLK1 | |
| SCHEMBL625654 | 0.86 | MAP3K12 (0.47) | MAP3K12PIK3CADLK1 | |
| SCHEMBL625051 | 0.85 | MAP3K12 (0.46) | MAP3K12PIK3CADLK1 | |
| SCHEMBL625864 | 0.85 | MAP3K12 (0.44) | MAP3K12PIK3CADLK1 | |
| SCHEMBL625281 | 0.84 | PIK3CA (0.52) | MAP3K12PIK3CADLK1 | |
| SCHEMBL625636 | 0.83 | MAP3K12 (0.44) | MAP3K12PIK3CADLK1 | |
| SCHEMBL624922 | 0.81 | PIK3CA (0.42) | MAP3K12PIK3CA | |
| SCHEMBL626135 | 0.81 | PIK3CA (0.45) | MAP3K12PIK3CADLK1 | |
| SCHEMBL625010 | 0.73 | HSD11B1 (0.35) | — |
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 |