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 | 2/20 | 0.57 |
| ▸ | LTA4H | P09960 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | TGM2 | P21980 | 1/20 | 0.53 |
| ▸ | APP | P05067 | 2/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.51 |
| ▸ | P4HB | P07237 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | F3 | P13726 | 1/20 | 0.51 |
| ▸ | XDH | P47989 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | STAT3 | P40763 | 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 | |
|---|---|---|---|---|
| Anisole SCHEMBL28850433 | 0.89 | CA4 (0.52) | ESR2LTA4HGAAPKMTGM2 | |
| Hydroquinone SCHEMBL9576534 | 0.87 | ALDH5A1 (0.52) | ESR2LTA4HGAAPKMTHRB | |
| Anisole SCHEMBL28210636 | 0.86 | ESR2 (0.56) | ESR2APPMAPTRAB9AMEN1 | |
| Acrylic Acid SCHEMBL1311380 | 0.86 | TGM2 (0.55) | ESR2TGM2THRBATMRAB9A | |
| Anisole SCHEMBL7290982 | 0.83 | CA4 (0.61) | LTA4HGAATGM2THRBATM | |
| Mequinol SCHEMBL9152719 | 0.83 | ESR2 (0.73) | ESR2LTA4HGAAPKMAPP | |
| Hydroquinone SCHEMBL10337846 | 0.82 | ALDH5A1 (0.61) | ESR2GAAPKMTHRBMAPT | |
| Hydroquinone SCHEMBL4232170 | 0.82 | ALDH5A1 (0.61) | ESR2GAAPKMTHRBMAPT | |
| Acrylic Acid SCHEMBL28864006 | 0.82 | THRB (0.54) | GAAPKMTGM2THRBATM | |
| Acrylic Acid SCHEMBL28304090 | 0.82 | TGM2 (0.51) | PKMTGM2APPTHRBATM |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105713550-B | A kind of ultraviolet light solidification optical cement and preparation method thereof for Glass optical device | 深圳职业技术学院 | 2019-04-09 | — | — | CN | claimed |
| CN-109651934-A | A kind of electron beam radiation cured paint of wooden floor | 赖贵尧 | 2019-04-19 | — | — | CN | disclosed |
| US-7935774-B2 | Particulate water-absorbent polymer and production method thereof | NIPPON SHOKUBAI CO., LTD. (JP) | 2011-05-03 | — | — | US | disclosed |
| US-20110046279-A9 | PARTICULATE WATER-ABSORBENT POLYMER AND PRODUCTION METHOD THEREOF | NIPPON SHOKUBAI CO., LTD. (JP) | 2011-02-24 | — | — | US | disclosed |