Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CPT1A | P50416 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22470042 | 0.72 | ALDH1A1 (0.47) | ALDH1A1EPHX1CYP1A2PPARG | |
| SCHEMBL7550175 | 0.67 | ALDH1A1 (0.44) | ALDH1A1EPHX1CYP1A2TSHRPPARG | |
| SCHEMBL22471646 | 0.66 | ALDH1A1 (0.47) | ALDH1A1EPHX1CYP1A2TSHRPPARG | |
| SCHEMBL22470041 | 0.65 | ALDH1A1 (0.39) | ALDH1A1EPHX1CYP1A2PPARGGRM2 | |
| SCHEMBL16716806 | 0.65 | ALDH1A1 (0.42) | ALDH1A1EPHX1CYP1A2TSHR | |
| Propene SCHEMBL28084431 | 0.64 | ALDH1A1 (0.79) | ALDH1A1EPHX1CYP1A2TSHR | |
| SCHEMBL9132384 | 0.64 | ALDH1A1 (0.70) | ALDH1A1EPHX1TSHR | |
| SCHEMBL5505454 | 0.64 | ALDH1A1 (0.70) | ALDH1A1EPHX1TSHR | |
| Butadiene Epoxide SCHEMBL3414472 | 0.64 | ALDH1A1 (0.70) | ALDH1A1EPHX1CYP1A2TSHR | |
| SCHEMBL6673883 | 0.64 | ALDH1A1 (0.70) | ALDH1A1EPHX1TSHR |
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-2020193650-A1 | PROCESS FOR PREPARING 1,2-ENDOPEROXIDE COMPOUNDS | Universite Paris-Saclay (FR) | 2020-10-01 | — | — | WO | disclosed |