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 | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.70 |
| ▸ | GAA | P10253 | 1/20 | 0.70 |
| ▸ | LTA4H | P09960 | 1/20 | 0.64 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.64 |
| ▸ | APP | P05067 | 2/20 | 0.57 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | STAT3 | P40763 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.48 |
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 SCHEMBL23541071 | 0.98 | PKM (0.73) | PKMGAALTA4HESR2APP | |
| Mequinol SCHEMBL28034246 | 0.89 | PKM (0.68) | PKMGAALTA4HESR2APP | |
| Mequinol SCHEMBL21009 | 0.85 | — | — | |
| Mequinol SCHEMBL1535640 | 0.85 | ESR2 (0.84) | PKMGAALTA4HESR2APP | |
| 1,4-Dimethoxybenzene SCHEMBL8351066 | 0.85 | ESR2 (0.84) | PKMGAALTA4HESR2APP | |
| Mequinol SCHEMBL166535 | 0.85 | ESR2 (0.84) | PKMGAALTA4HESR2APP | |
| Mequinol SCHEMBL28697292 | 0.84 | PKM (0.74) | PKMGAALTA4HESR2APP | |
| Mequinol SCHEMBL8898999 | 0.84 | PKM (0.61) | PKMGAALTA4HESR2APP | |
| Mequinol SCHEMBL9152719 | 0.83 | ESR2 (0.73) | PKMGAALTA4HESR2APP | |
| Mequinol SCHEMBL2424246 | 0.83 | ESR2 (0.80) | PKMGAALTA4HESR2APP |
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-114163331-A | Preparation method of ultra-pure photoresist reagent methyl 3-methoxypropionate | 深圳市普利凯新材料股份有限公司 | 2022-03-11 | — | — | CN | disclosed |