Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | EBP | Q15125 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.33 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22482940 | 0.83 | ALDH1A1 (0.58) | ALDH1A1EPHX1CYP1A2ALOX5PPARG | |
| SCHEMBL22482952 | 0.83 | ALDH1A1 (0.58) | ALDH1A1EPHX1CYP1A2ALOX5PPARG | |
| SCHEMBL22483050 | 0.78 | ALDH1A1 (0.52) | ALDH1A1EPHX1CYP1A2ALOX5PPARG | |
| SCHEMBL22484374 | 0.78 | ALDH1A1 (0.52) | ALDH1A1EPHX1CYP1A2ALOX5PPARG | |
| SCHEMBL22470028 | 0.78 | ALDH1A1 (0.52) | ALDH1A1EPHX1CYP1A2ALOX5PPARG | |
| SCHEMBL22484690 | 0.78 | ALDH1A1 (0.52) | ALDH1A1EPHX1CYP1A2ALOX5PPARG | |
| SCHEMBL17210446 | 0.76 | EPHX1 (0.62) | ALDH1A1EPHX1CYP1A2EBPSIGMAR1 | |
| Propylene Oxide SCHEMBL29006023 | 0.74 | ALDH1A1 (0.86) | ALDH1A1EPHX1CYP1A2EBPSIGMAR1 | |
| SCHEMBL22471646 | 0.73 | ALDH1A1 (0.47) | ALDH1A1EPHX1CYP1A2ALOX5PPARG | |
| SCHEMBL22470039 | 0.73 | ALDH1A1 (0.47) | ALDH1A1EPHX1CYP1A2ALOX5PPARG |
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-2020193649-A1 | NEW THERAPEUTIC APPLICATION OF 1,2-DIOXOLANE-3,5-DISUBSTITUTED COMPOUNDS, AND METHOD FOR THE PRODUCTION THEREOF | Universite Paris-Saclay (FR) | 2020-10-01 | — | — | WO | disclosed |