Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | USP2 | O75604 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | RET | P07949 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL623996 | 0.96 | THRB (0.42) | THRBRETMAPTHCRTR1HCRTR2 | |
| SCHEMBL625512 | 0.92 | THRB (0.44) | THRBMAPTRXFP1SCD5CYP11B2 | |
| SCHEMBL624527 | 0.86 | PIM1 (0.43) | CYP3A4USP2TSHRMEN1KMT2A | |
| SCHEMBL625496 | 0.82 | PIM1 (0.39) | THRBMAPTHSD17B10ALDH1A1HCRTR1 | |
| SCHEMBL625742 | 0.82 | THRB (0.43) | THRBMAPTRXFP1 | |
| SCHEMBL623995 | 0.82 | PIM1 (0.44) | RETCYP11B2 | |
| SCHEMBL623207 | 0.81 | PIM1 (0.48) | THRBMAPTHCRTR1HCRTR2RXFP1 | |
| SCHEMBL626123 | 0.81 | RET (0.43) | RET | |
| SCHEMBL624454 | 0.79 | PIM1 (0.45) | RET | |
| SCHEMBL627422 | 0.79 | RET (0.42) | CYP3A4USP2TSHRMEN1KMT2A |
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 |