Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.40 |
| ▸ | TSHR | P16473 | 5/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ACACB | O00763 | 3/20 | 0.39 |
| ▸ | EIF2AK4 | Q9P2K8 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL627267 | 0.93 | CYP11B2 (0.41) | RETCYP2C19CYP3A4CYP11B2HSD17B10 | |
| SCHEMBL628407 | 0.90 | CYP11B2 (0.44) | RETCYP3A4HIF1ACYP11B2ACACB | |
| SCHEMBL627265 | 0.85 | CKS1B (0.41) | ALDH1A1MEN1KMT2A | |
| SCHEMBL627421 | 0.82 | RET (0.44) | RETCYP2C19CYP3A4HIF1AALDH1A1 | |
| SCHEMBL624528 | 0.79 | CYP3A4 (0.41) | RETCYP2C19CYP3A4HIF1AALDH1A1 | |
| SCHEMBL626123 | 0.79 | RET (0.43) | RETEIF2AK4 | |
| SCHEMBL625492 | 0.78 | NAMPT (0.39) | ALDH1A1CYP2C9ACACB | |
| SCHEMBL627407 | 0.78 | CYP2D6 (0.41) | CYP2C19CYP3A4HIF1AALDH1A1CYP1A2 | |
| SCHEMBL627207 | 0.78 | OPRM1 (0.39) | — | |
| SCHEMBL627513 | 0.75 | OPRM1 (0.37) | ALDH1A1 |
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 |