Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 2/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16716806 | 0.78 | ALDH1A1 (0.42) | ALDH1A1EPHX1CYP1A2TSHR | |
| SCHEMBL16716818 | 0.73 | ALDH1A1 (0.38) | ALDH1A1EPHX1CYP1A2TSHR | |
| SCHEMBL22471646 | 0.69 | ALDH1A1 (0.47) | ALDH1A1EPHX1CYP1A2TSHRPPARG | |
| SCHEMBL14193315 | 0.68 | ALDH1A1 (0.46) | ALDH1A1EPHX1CYP1A2PPARGGRM2 | |
| Propene SCHEMBL28084431 | 0.67 | ALDH1A1 (0.79) | ALDH1A1EPHX1CYP1A2TSHR | |
| SCHEMBL9132384 | 0.67 | ALDH1A1 (0.70) | ALDH1A1EPHX1TSHR | |
| Butadiene Epoxide SCHEMBL3414472 | 0.67 | ALDH1A1 (0.70) | ALDH1A1EPHX1CYP1A2TSHR | |
| SCHEMBL6673883 | 0.67 | ALDH1A1 (0.70) | ALDH1A1EPHX1TSHR | |
| SCHEMBL5505454 | 0.67 | ALDH1A1 (0.70) | ALDH1A1EPHX1TSHR | |
| SCHEMBL22482939 | 0.67 | ALDH1A1 (0.41) | ALDH1A1EPHX1CYP1A2TSHRPPARG |
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-2002051883-A1 | SYNTHESIS OF NOVEL HETEROCYCLIC MOLECULES OXYGENATED BY METATHESIS REACTION ON SOLID SUPPORT USING NOVEL SILYLATED LINKERS | AVENTIS PHARMA S.A. (FR) | 2002-07-04 | — | — | WO | claimed |
| WO-2002051883-A1 | SYNTHESIS OF NOVEL HETEROCYCLIC MOLECULES OXYGENATED BY METATHESIS REACTION ON SOLID SUPPORT USING NOVEL SILYLATED LINKERS | AVENTIS PHARMA S.A. (FR) | 2002-07-04 | — | — | WO | disclosed |