Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K12 | Q12852 | 17/20 | 0.46 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL626160 | 0.87 | PIK3CA (0.50) | MAP3K12TNFPIK3CA | |
| SCHEMBL626620 | 0.86 | MAP3K12 (0.52) | MAP3K12TNFPIK3CA | |
| SCHEMBL626263 | 0.83 | TNF (0.42) | MAP3K12TNFPIK3CA | |
| SCHEMBL626246 | 0.83 | MAP3K12 (0.40) | MAP3K12PIK3CA | |
| SCHEMBL625646 | 0.83 | MAP3K12 (0.41) | MAP3K12 | |
| SCHEMBL626243 | 0.81 | MAP3K12 (0.46) | MAP3K12PIK3CA | |
| SCHEMBL625733 | 0.81 | MAP3K12 (0.42) | MAP3K12PIK3CA | |
| SCHEMBL625703 | 0.79 | MAP3K12 (0.44) | MAP3K12PIK3CA | |
| SCHEMBL624870 | 0.79 | MAPT (0.42) | MAP3K12PIK3CA | |
| SCHEMBL624968 | 0.79 | MAP3K12 (0.43) | 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 |