Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 9/20 | 0.45 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 6/20 | 0.39 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL625127 | 0.90 | PIK3CA (0.48) | PIK3CARIPK1FYNHASPIN | |
| SCHEMBL625408 | 0.87 | MAP4K1 (0.39) | PIK3CANAMPT | |
| SCHEMBL627431 | 0.85 | PIK3CA (0.48) | PIK3CAHASPIN | |
| SCHEMBL627019 | 0.84 | PIK3CA (0.47) | PIK3CAHASPINHDAC1HDAC2 | |
| SCHEMBL623828 | 0.84 | FYN (0.46) | FYNCDK9 | |
| SCHEMBL625455 | 0.82 | PIK3CA (0.43) | PIK3CARIPK1FYNHASPIN | |
| SCHEMBL626107 | 0.82 | PIK3CA (0.48) | PIK3CAFYNHASPIN | |
| SCHEMBL625421 | 0.82 | PIK3CA (0.52) | PIK3CARIPK1HASPIN | |
| SCHEMBL626122 | 0.82 | PIK3CA (0.45) | PIK3CAHASPIN | |
| SCHEMBL624984 | 0.81 | PIK3CA (0.48) | PIK3CARIPK1FYN |
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 |