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 | 0.53 |
| ▸ | LTA4H | P09960 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 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 | |
|---|---|---|---|---|
| Hydroquinone SCHEMBL9547887 | 0.88 | ALDH1A1 (0.67) | ESR2LTA4HALDH1A1LMNAHSD17B10 | |
| Hydroquinone SCHEMBL28100131 | 0.88 | ALDH1A1 (0.67) | ESR2LTA4HALDH1A1LMNAHSD17B10 | |
| Mequinol SCHEMBL28180794 | 0.84 | ALOX15 (0.54) | ESR2LTA4HALDH1A1LMNAHSD17B10 | |
| Ethyl Acetate SCHEMBL27956511 | 0.84 | HPGD (0.52) | ALDH1A1LMNAHSD17B10GAAMAPT | |
| Anisole SCHEMBL2277975 | 0.83 | ALDH1A1 (0.54) | LTA4HALDH1A1LMNAHSD17B10NPC1 | |
| P-Cresol SCHEMBL28236037 | 0.82 | ALDH1A1 (0.58) | ESR2ALDH1A1LMNAHSD17B10CA12 | |
| Ethyl Acetate SCHEMBL28255801 | 0.81 | HDAC3 (0.51) | ALDH1A1LMNAHSD17B10CA1CA2 | |
| Anisaldehyde SCHEMBL9718106 | 0.81 | ALDH1A1 (0.63) | ALDH1A1LMNAHSD17B10MAPTKMT2A | |
| Parachlorophenol SCHEMBL28067607 | 0.79 | ALDH1A1 (0.54) | ESR2ALDH1A1LMNAHSD17B10CA12 | |
| Phenol SCHEMBL7702440 | 0.79 | ALDH1A1 (0.59) | ESR2ALDH1A1LMNAHSD17B10CA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-5527660-A | PEEL-DEVELOPABLE IMAGING MEDIUM HAVING CYCLOALIPHATIC DIEPOXIDE COMPOUND IN IMAGE-FORMING LAYER OR RELEASE LAYER | POLAROID CORPORATION (US) | 1996-06-18 | — | — | US | disclosed |