Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Octane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | FAAH | O00519 | 2/20 | 0.52 |
| ▸ | PPARA | Q07869 | 2/20 | 0.52 |
| ▸ | CES2 | O00748 | 3/20 | 0.50 |
| ▸ | CES1 | P23141 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Nonane SCHEMBL10614203 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 | |
| Octane SCHEMBL1593657 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 | |
| Tetradecane SCHEMBL272077 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 | |
| Dodecane SCHEMBL1939550 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 | |
| Decane SCHEMBL13275986 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 | |
| Hexadecane SCHEMBL2541310 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 | |
| Decane SCHEMBL13586006 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 | |
| Heptane SCHEMBL8024410 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 | |
| Sulfuric Acid SCHEMBL1484174 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 | |
| Decane SCHEMBL5501232 | 1.00 | TSHR (0.57) | TSHRTHRBTP53CA1CA2 |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108017651-B | The method of 1 inhibitor of synthetic cell cycle detection point kinases | 天津师范大学 | 2019-11-26 | — | — | CN | claimed |
| CN-108017651-A | The method of 1 inhibitor of synthetic cell cycle detection point kinases | 天津师范大学 | 2018-05-11 | — | — | CN | claimed |
| US-5892035-A | FLUORINATING THE CORRESPONDING DIAZABICYCLOALKALINE COMPOUND | DAIKIN INDUSTRIES LTD. (JP) | 1999-04-06 | — | — | US | claimed |
| US-11742491-B2 | Binder for secondary battery, electrode mixture for secondary battery, electrode for secondary battery and secondary battery | DAIKIN INDUSTRIES, LTD. (JP) | 2023-08-29 | — | — | US | disclosed |
| CN-111194495-B | Binder for secondary battery, electrode mixture for secondary battery, electrode for secondary battery, and secondary battery | 大金工业株式会社 | 2023-06-16 | — | — | CN | disclosed |
| US-11394083-B2 | Secondary battery separator including porous film having fluorine-containing polymer of vinylidene fluoride, tetrafluoroethylene, and vinyl carboxylic acid or salt and secondary battery including the same | DAIKIN INDUSTRIES, LTD. (JP) | 2022-07-19 | — | — | US | disclosed |
| EP-3447831-B1 | BINDER FOR SECONDARY BATTERIES AND ELECTRODE MIXTURE FOR SECONDARY BATTERIES | DAIKIN IND LTD (JP) | 2021-02-17 | — | — | EP | disclosed |
| US-10847800-B2 | Binder for secondary batteries and electrode mixture for secondary batteries | DAIKIN INDUSTRIES, LTD. (JP) | 2020-11-24 | — | — | US | disclosed |
| US-10766977-B2 | Process for manufacturing a dispersion of a vinylidene fluoride polymer | SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) | 2020-09-08 | — | — | US | disclosed |
| US-20200243862-A1 | BINDER FOR SECONDARY BATTERY, ELECTRODE MIXTURE FOR SECONDARY BATTERY, ELECTRODE FOR SECONDARY BATTERY AND SECONDARY BATTERY | DAIKIN INDUSTRIES, LTD. (JP) | 2020-07-30 | — | — | US | disclosed |
| EP-3680969-A1 | BINDER FOR SECONDARY BATTERY, ELECTRODE MIXTURE FOR SECONDARY BATTERY, ELECTRODE FOR SECONDARY BATTERY AND SECONDARY BATTERY | Daikin Industries, Ltd. (JP) | 2020-07-15 | — | — | EP | disclosed |
| CN-110663123-A | Separator for secondary battery and secondary battery | 大金工业株式会社 | 2020-01-07 | — | — | CN | disclosed |
| CN-108017651-B | The method of 1 inhibitor of synthetic cell cycle detection point kinases | 天津师范大学 | 2019-11-26 | — | — | CN | disclosed |
| US-20190296359-A1 | BINDER FOR SECONDARY BATTERIES AND ELECTRODE MIXTURE FOR SECONDARY BATTERIES | DAIKIN INDUSTRIES, LTD. (JP) | 2019-09-26 | — | — | US | disclosed |
| US-20180162965-A1 | PROCESS FOR MANUFACTURING A DISPERSION OF A VINYLIDENE FLUORIDE POLYMER | SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) | 2018-06-14 | — | — | US | disclosed |
| CN-108017651-A | The method of 1 inhibitor of synthetic cell cycle detection point kinases | 天津师范大学 | 2018-05-11 | — | — | CN | disclosed |
| US-9920141-B2 | Process for manufacturing a dispersion of a vinylidene fluoride polymer | SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) | 2018-03-20 | — | — | US | disclosed |
| EP-2513173-B1 | PROCESS FOR MANUFACTURING A DISPERSION OF A VINYLIDENE FLUORIDE POLYMER | SOLVAY SPECIALTY POLYMERS IT (IT) | 2013-09-25 | — | — | EP | disclosed |
| US-20120283382-A1 | Process for Manufacturing a Dispersion of a Vinylidene Fluoride Polymer | SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) | 2012-11-08 | — | — | US | disclosed |
| US-5892035-A | FLUORINATING THE CORRESPONDING DIAZABICYCLOALKALINE COMPOUND | DAIKIN INDUSTRIES LTD. (JP) | 1999-04-06 | — | — | US | disclosed |