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 | 3/20 | 0.68 |
| ▸ | GAA | P10253 | 1/20 | 0.68 |
| ▸ | LTA4H | P09960 | 1/20 | 0.61 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.61 |
| ▸ | APP | P05067 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.52 |
| ▸ | MMP1 | P03956 | 1/20 | 0.52 |
| ▸ | MMP2 | P08253 | 1/20 | 0.52 |
| ▸ | MMP9 | P14780 | 1/20 | 0.52 |
| ▸ | MMP8 | P22894 | 1/20 | 0.52 |
| ▸ | MMP13 | P45452 | 1/20 | 0.52 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.49 |
| ▸ | TUBB | P07437 | 1/20 | 0.49 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.49 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.49 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.49 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.49 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.49 |
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 | 0.91 | PKM (0.73) | PKMGAALTA4HESR2APP | |
| Mequinol SCHEMBL28697289 | 0.89 | PKM (0.70) | PKMGAALTA4HESR2APP | |
| Mequinol SCHEMBL27410435 | 0.86 | ESR2 (0.80) | PKMGAALTA4HESR2APP | |
| Mequinol SCHEMBL1535640 | 0.83 | ESR2 (0.84) | PKMGAALTA4HESR2APP | |
| Mequinol SCHEMBL21009 | 0.83 | — | — | |
| 1,4-Dimethoxybenzene SCHEMBL8351066 | 0.83 | ESR2 (0.84) | PKMGAALTA4HESR2APP | |
| Mequinol SCHEMBL166535 | 0.83 | ESR2 (0.84) | PKMGAALTA4HESR2APP | |
| Mequinol SCHEMBL28697292 | 0.83 | PKM (0.74) | PKMGAALTA4HESR2APP | |
| Mequinol SCHEMBL8898999 | 0.82 | PKM (0.61) | PKMGAALTA4HESR2APP | |
| Mequinol SCHEMBL9152719 | 0.81 | ESR2 (0.73) | 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-104003913-B | The preparation method of E-3,4-dihydroxyphenyl vinylic sulfonamides and sulfonates compounds and the application as neuroprotective thereof | PEKING UNIVERSITY (CN) | 2015-10-07 | — | — | CN | disclosed |