Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Mequinol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 3/20 | 0.80 |
| ▸ | LTA4H | P09960 | 1/20 | 0.80 |
| ▸ | APP | P05067 | 2/20 | 0.70 |
| ▸ | CA12 | O43570 | 1/20 | 0.65 |
| ▸ | CA1 | P00915 | 1/20 | 0.65 |
| ▸ | CA2 | P00918 | 1/20 | 0.65 |
| ▸ | CA7 | P43166 | 1/20 | 0.65 |
| ▸ | CA9 | Q16790 | 1/20 | 0.65 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.65 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.64 |
| ▸ | GAA | P10253 | 1/20 | 0.64 |
| ▸ | PKM | P14618 | 1/20 | 0.64 |
| ▸ | ABL1 | P00519 | 1/20 | 0.56 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.56 |
| ▸ | BCR | P11274 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | CASP3 | P42574 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Mequinol SCHEMBL21009 | 0.97 | — | — | |
| Mequinol SCHEMBL1535640 | 0.97 | ESR2 (0.84) | ESR2LTA4HAPPCA12CA1 | |
| 1,4-Dimethoxybenzene SCHEMBL8351066 | 0.97 | ESR2 (0.84) | ESR2LTA4HAPPCA12CA1 | |
| Mequinol SCHEMBL166535 | 0.97 | ESR2 (0.84) | ESR2LTA4HAPPCA12CA1 | |
| Mequinol SCHEMBL28560858 | 0.94 | ESR2 (0.80) | ESR2LTA4HAPPCA12CA1 | |
| Mequinol SCHEMBL16338066 | 0.94 | ESR2 (0.80) | ESR2LTA4HAPPCA12CA1 | |
| Mequinol SCHEMBL28573611 | 0.94 | ESR2 (0.80) | ESR2LTA4HAPPCA12CA1 | |
| Mequinol SCHEMBL20696082 | 0.94 | ESR2 (0.80) | ESR2LTA4HAPPCA12CA1 | |
| Mequinol SCHEMBL2424246 | 0.94 | ESR2 (0.80) | ESR2LTA4HAPPCA12CA1 | |
| Mequinol SCHEMBL28811337 | 0.94 | ESR2 (0.80) | ESR2LTA4HAPPCA12CA1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107915588-B | Synthetic method of eugenol methyl ether | 昆山亚香香料股份有限公司 | 2022-12-02 | — | — | CN | claimed |
| CN-107915588-A | A kind of synthetic method of eugenol methyl ether | 昆山亚香香料股份有限公司 | 2018-04-17 | — | — | CN | claimed |
| CN-107915588-B | Synthetic method of eugenol methyl ether | 昆山亚香香料股份有限公司 | 2022-12-02 | — | — | CN | disclosed |
| CN-107915588-B | Synthetic method of eugenol methyl ether | 昆山亚香香料股份有限公司 | 2022-12-02 | — | — | CN | disclosed |
| CN-107915588-A | A kind of synthetic method of eugenol methyl ether | 昆山亚香香料股份有限公司 | 2018-04-17 | — | — | CN | disclosed |
| CN-1051736-A | OLEFIN POLYMERIZATION CATALYSIS | SHELL INT RESEARCH (NL) | 1991-05-29 | — | — | CN | disclosed |