Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | HMGCR | P04035 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL358256 | 0.98 | TYR (0.43) | TYRCA1CA2CYP3A4HMGCR | |
| Acetic Acid SCHEMBL29136252 | 0.90 | CA1 (0.39) | TYRCA1CA2ESR1ESR2 | |
| Cis/Trans-Isoeugenol SCHEMBL18263901 | 0.84 | TYR (0.70) | TYRCA1CA2CYP3A4ALOX5 | |
| SCHEMBL25322106 | 0.83 | TYR (0.46) | TYRCA1CA2CYP3A4HMGCR | |
| SCHEMBL28544350 | 0.81 | TYR (0.44) | TYRCA1CA2CYP3A4HMGCR | |
| SCHEMBL7190769 | 0.79 | XDH (0.47) | TYRCA1CA2CA12CA7 | |
| SCHEMBL18035640 | 0.79 | ALOX5 (0.44) | TYRCA1CA2ALOX5GABRA1 | |
| SCHEMBL10875625 | 0.78 | KDM4E (0.49) | CA1CA2CYP3A4ALOX5ESR1 | |
| SCHEMBL2535572 | 0.78 | KDM4E (0.49) | CA1CA2CYP3A4ALOX5ESR1 | |
| SCHEMBL1361643 | 0.78 | CA1 (0.59) | TYRCA1CA2CA12CA7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109836312-B | Method for synthesizing isoeugenol methyl ether | 南京林业大学 | 2021-06-25 | — | — | CN | disclosed |