Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FYN | P06241 | 10/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 5/20 | 0.41 |
| ▸ | CDK2 | P24941 | 5/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 3/20 | 0.41 |
| ▸ | CCNE2 | O96020 | 3/20 | 0.41 |
| ▸ | CDK1 | P06493 | 3/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.41 |
| ▸ | CCNB3 | Q8WWL7 | 3/20 | 0.41 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
| ▸ | CCND1 | P24385 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 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 | |
|---|---|---|---|---|
| SCHEMBL627199 | 0.84 | FYN (0.46) | FYNCDK2HASPINJAK2JAK3 | |
| SCHEMBL624132 | 0.83 | MKNK1 (0.48) | FYNKCNH2CCNE1CDK2CCNE2 | |
| SCHEMBL626175 | 0.79 | FYN (0.46) | FYNHASPIN | |
| SCHEMBL627492 | 0.79 | CDK2 (0.39) | FYNKCNH2CCNE1CDK2CCNB2 | |
| SCHEMBL627493 | 0.79 | CCNE1 (0.37) | FYNKCNH2CCNE1CDK2CCNB2 | |
| SCHEMBL626171 | 0.79 | FYN (0.54) | FYNKCNH2HASPIN | |
| SCHEMBL628243 | 0.78 | FYN (0.46) | FYNHASPIN | |
| SCHEMBL627017 | 0.77 | FYN (0.47) | FYNHASPIN | |
| SCHEMBL627018 | 0.77 | FYN (0.47) | FYNHASPIN | |
| SCHEMBL627849 | 0.77 | FYN (0.46) | FYNKCNH2HASPINJAK3 |
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-2012020217-A1 | AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS | CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) | 2012-02-16 | — | — | WO | disclosed |