Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Phenoxyethanol. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.79 |
| ▸ | RECQL | P46063 | 1/20 | 0.79 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Phenoxyethanol SCHEMBL9451237 | 0.92 | ALDH1A1 (0.73) | ALDH1A1RECQLGAAKCNA3PKM | |
| Phenoxyethanol SCHEMBL15708 | 0.89 | ALDH1A1 (1.00) | ALDH1A1RECQLGAAKCNA3PKM | |
| Phenoxyethanol SCHEMBL27476573 | 0.89 | ALDH1A1 (1.00) | ALDH1A1RECQLGAAKCNA3PKM | |
| Phenoxyethanol SCHEMBL167128 | 0.89 | ALDH1A1 (1.00) | ALDH1A1RECQLGAAKCNA3PKM | |
| Phenoxyethanol SCHEMBL9349725 | 0.89 | ALDH1A1 (1.00) | ALDH1A1RECQLGAAKCNA3PKM | |
| Phenoxyethanol SCHEMBL3838823 | 0.87 | ALDH1A1 (0.86) | ALDH1A1RECQLGAAKCNA3PKM | |
| Phenoxyethanol SCHEMBL11328286 | 0.87 | ALDH1A1 (0.86) | ALDH1A1RECQLGAAKCNA3PKM | |
| Phenoxyethanol SCHEMBL18074838 | 0.87 | ALDH1A1 (0.95) | ALDH1A1RECQLGAAKCNA3PKM | |
| Phenoxyethanol SCHEMBL2932261 | 0.87 | ALDH1A1 (0.95) | ALDH1A1RECQLGAAKCNA3PKM | |
| Phenoxyethanol SCHEMBL12613523 | 0.87 | ALDH1A1 (0.95) | ALDH1A1RECQLGAAKCNA3PKM |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2993723-B1 | ELECTROLYTE SOLUTION FOR AN ENERGY STORAGE DEVICE | GS YUASA INT LTD (JP) | 2018-10-10 | — | — | EP | disclosed |
| EP-2634854-B1 | NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY | ASAHI CHEMICAL IND (JP) | 2018-09-19 | — | — | EP | disclosed |
| US-9893378-B2 | Non-aqueous electrolyte solution and non-aqueous secondary battery | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2018-02-13 | — | — | US | disclosed |
| US-9806376-B2 | Energy storage device | GS YUASA INTERNATIONAL LTD. (JP) | 2017-10-31 | — | — | US | disclosed |
| US-9553333-B2 | Nonaqueous electrolytic solution and nonaqueous electrolyte secondary battery | MITSUBISHI CHEMICAL CORPORATION (JP) | 2017-01-24 | — | — | US | disclosed |
| EP-2993723-A1 | ELECTROLYTE SOLUTION FOR AN ENERGY STORAGE DEVICE | GS Yuasa International Ltd. (JP) | 2016-03-09 | — | — | EP | disclosed |
| US-20160064775-A1 | ENERGY STORAGE DEVICE | GS YUASA INTERNATIONAL LTD. (JP) | 2016-03-03 | — | — | US | disclosed |
| EP-2634854-A1 | NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY | Asahi Kasei E-Materials Corporation (JP) | 2013-09-04 | — | — | EP | disclosed |
| US-20130224535-A1 | Non-Aqueous Electrolyte Solution and Non-Aqueous Secondary Battery | ASAHI KASEI E-MATERIALS CORPORATION (JP) | 2013-08-29 | — | — | US | disclosed |
| US-20130216919-A1 | NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY | MITSUBISHI CHEMICAL CORPORATION (JP) | 2013-08-22 | — | — | US | disclosed |
| EP-2618418-A1 | NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY | Mitsubishi Chemical Corporation (JP) | 2013-07-24 | — | — | EP | disclosed |
| CN-101061151-A | Polycondensation products based on aromatic or heteroaromatic compounds, method for the production and use thereof | CONSTR RES & TECH GMBH (DE) | 2007-10-24 | — | — | CN | disclosed |
| US-6994936-B2 | Nonaqueous electrolyte secondary battery | JAPAN STORAGE BATTERY CO., LTD. (JP) | 2006-02-07 | — | — | US | disclosed |
| US-20030118914-A1 | Nonaqueous electrolyte secondary battery | GS YUASA INTERNATIONAL LTD. (JP) | 2003-06-26 | — | — | US | disclosed |