Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 8/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.40 |
| ▸ | USP2 | O75604 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | EIF2AK4 | Q9P2K8 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL627406 | 0.80 | CYP1A2 (0.46) | CYP2D6CYP1A2ALOX15ALDH1A1CYP2C19 | |
| SCHEMBL627422 | 0.78 | RET (0.42) | CYP2D6CYP1A2ALOX15ALDH1A1CYP2C19 | |
| SCHEMBL625703 | 0.76 | MAP3K12 (0.44) | EIF2AK4 | |
| SCHEMBL627267 | 0.72 | CYP11B2 (0.41) | CYP2C19HSD17B10CYP3A4USP2 | |
| SCHEMBL627088 | 0.70 | MAPT (0.32) | — | |
| SCHEMBL628407 | 0.68 | CYP11B2 (0.44) | CYP3A4HIF1A | |
| SCHEMBL624035 | 0.67 | SMN1; SMN2 (0.40) | ALOX15ALDH1A1HSD17B10USP2HPGD | |
| SCHEMBL625702 | 0.66 | PIK3CA (0.50) | CYP2D6CYP1A2ALOX15EIF2AK4 | |
| SCHEMBL627168 | 0.65 | CCNE1 (0.39) | — | |
| SCHEMBL624133 | 0.65 | RORC (0.34) | CYP3A4 |
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 |