Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 2/20 | 0.34 |
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.32 |
| ▸ | PLAT | P00750 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
| ▸ | PTPRB | P23467 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
| ▸ | JAK2 | O60674 | 1/20 | 0.30 |
| ▸ | JAK1 | P23458 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL626212 | 0.89 | AAK1 (0.33) | AAK1AKT1JAK2JAK1 | |
| SCHEMBL625036 | 0.79 | PIM1 (0.49) | — | |
| SCHEMBL625189 | 0.79 | PIK3CA (0.46) | — | |
| SCHEMBL1585580 | 0.72 | AAK1 (0.37) | AAK1AKT1SMYD3TRPA1JAK2 | |
| SCHEMBL4116055 | 0.69 | SMYD3 (0.53) | AKT1SMYD3 | |
| SCHEMBL626398 | 0.69 | FYN (0.44) | JAK2JAK1 | |
| SCHEMBL627106 | 0.69 | FYN (0.44) | JAK2JAK1 | |
| SCHEMBL627316 | 0.69 | FYN (0.34) | — | |
| SCHEMBL6066440 | 0.69 | AAK1 (0.44) | AAK1AKT1SMYD3 | |
| SCHEMBL627225 | 0.69 | CKS1B (0.48) | — |
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 2 patents. 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 |
| 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 |