Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 10/20 | 0.58 |
| ▸ | FYN | P06241 | 8/20 | 0.43 |
| ▸ | KIT | P10721 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | FLT3 | P36888 | 1/20 | 0.42 |
| ▸ | CDK7 | P50613 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.42 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.42 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TNF | P01375 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL626624 | 0.94 | PIK3CA (0.56) | PIK3CAFYNKITPIM1FLT3 | |
| SCHEMBL626144 | 0.85 | PIK3CA (0.57) | PIK3CAFYNKITPIM1FLT3 | |
| SCHEMBL626268 | 0.85 | PIK3CA (0.59) | PIK3CAFYNKITPIM1FLT3 | |
| SCHEMBL626298 | 0.83 | PIK3CA (0.53) | PIK3CAFYNKITPIM1FLT3 | |
| SCHEMBL624442 | 0.83 | PIK3CA (0.44) | PIK3CACYP3A4TNF | |
| SCHEMBL625399 | 0.82 | PIK3CA (0.53) | PIK3CAFYNKITPIM1FLT3 | |
| SCHEMBL12474083 | 0.81 | PIK3CA (0.57) | PIK3CAFYNKITPIM1FLT3 | |
| SCHEMBL626773 | 0.79 | PIK3CA (0.51) | PIK3CAFYNKITPIM1FLT3 | |
| SCHEMBL626625 | 0.78 | PIK3CA (0.43) | PIK3CACYP3A4TNF | |
| SCHEMBL626168 | 0.78 | PIK3CA (0.53) | PIK3CAKITPIM1FLT3CDK7 |
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 |