Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 12/20 | 0.46 |
| ▸ | PPARA | Q07869 | 10/20 | 0.46 |
| ▸ | MIF | P14174 | 2/20 | 0.43 |
| ▸ | PPARD | Q03181 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PTPRB | P23467 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL6510243 | 1.00 | ESR1 (0.47) | ESR1ESR2PPARGPPARAMIF | |
| SCHEMBL6511074 | 0.93 | ESR1 (0.48) | ESR1ESR2PPARGPPARAMIF | |
| SCHEMBL6511070 | 0.93 | ESR1 (0.48) | ESR1ESR2PPARGPPARAMIF | |
| SCHEMBL6502470 | 0.89 | PPARG (0.55) | ESR1PPARGPPARA | |
| SCHEMBL6502468 | 0.89 | PPARG (0.55) | ESR1PPARGPPARA | |
| SCHEMBL6510040 | 0.87 | ESR1 (0.50) | ESR1ESR2PPARGPPARAMIF | |
| SCHEMBL6507933 | 0.87 | ESR1 (0.50) | ESR1ESR2PPARGPPARAMIF | |
| SCHEMBL6509595 | 0.86 | ESR1 (0.47) | ESR1ESR2PPARGPPARAMIF | |
| SCHEMBL6509594 | 0.86 | ESR1 (0.47) | ESR1ESR2PPARGPPARAMIF | |
| SCHEMBL5798930 | 0.83 | ESR1 (0.54) | ESR1ESR2PPARGPPARAMIF |
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-2005040127-A1 | NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | LG LIFE SCIENCES LTD. (KR) | 2005-05-06 | — | — | WO | disclosed |