Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 2/20 | 1.00 |
| ▸ | TP53 | P04637 | 1/20 | 1.00 |
| ▸ | ALOX15 | P16050 | 1/20 | 1.00 |
| ▸ | TSHR | P16473 | 1/20 | 1.00 |
| ▸ | ALOX12 | P18054 | 1/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 1.00 |
| ▸ | PPARG | P37231 | 1/20 | 0.57 |
| ▸ | PPARD | Q03181 | 1/20 | 0.57 |
| ▸ | PPARA | Q07869 | 1/20 | 0.57 |
| ▸ | IDO1 | P14902 | 4/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.52 |
| ▸ | AR | P10275 | 1/20 | 0.52 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.52 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Estragole SCHEMBL57204 | 1.00 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| Estragole SCHEMBL900647 | 1.00 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| Estragole SCHEMBL29777399 | 0.98 | ALDH1A1 (0.96) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL10910253 | 0.94 | ALDH1A1 (0.88) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL8576732 | 0.94 | ALDH1A1 (0.88) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL11228368 | 0.94 | ALDH1A1 (0.88) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| Estragole SCHEMBL4256218 | 0.89 | ALDH1A1 (0.79) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL9797652 | 0.89 | SMN1; SMN2 (0.79) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL7791871 | 0.86 | ALDH1A1 (0.73) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL8576729 | 0.86 | ALDH1A1 (0.73) | ALDH1A1CYP3A4TP53ALOX15TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-106033078-B | A kind of detection method for measuring 4- allyl benzene methyl ethers in toy for children, plasticine, pigment, coating, cosmetics | 谱尼测试集团上海有限公司 | 2018-06-26 | — | — | CN | disclosed |
| CN-106033078-A | Detection method for determining 4-allylanisole in children toys, rubber mud, pigments, paints, cosmetics and the like | 谱尼测试集团上海有限公司 | 2016-10-19 | — | — | CN | disclosed |