Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Didecyldimethylammonium. 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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.42 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.42 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.42 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | THPO | P40225 | 1/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.48 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.47 |
| ▸ | MLNR | O43193 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL331519 | 1.00 | KCNH2 (0.57) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL11720120 | 1.00 | KCNH2 (0.57) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL8986462 | 1.00 | KCNH2 (0.57) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL17180042 | 1.00 | KCNH2 (0.57) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL28239915 | 0.97 | KCNH2 (0.55) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL27664750 | 0.97 | KCNH2 (0.55) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL4757134 | 0.94 | HTT (0.58) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL30413530 | 0.94 | HTT (0.58) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL4758094 | 0.94 | HTT (0.58) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| Mecetronium SCHEMBL331122 | 0.94 | HTT (0.58) | KCNH2HTTLMNACYP2D6CYP2C9 |
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-2933302-B1 | ADHESIVE COMPOSITION | TOAGOSEI CO LTD (JP) | 2018-04-04 | — | — | EP | disclosed |
| EP-2295484-B1 | POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM SAME POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL | MITSUI CHEMICALS INC (JP) | 2018-01-17 | — | — | EP | disclosed |
| EP-2407498-B1 | Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material | MITSUI CHEMICALS INC (JP) | 2017-11-15 | — | — | EP | disclosed |
| US-9458361-B2 | Adhesive composition | TOAGOSEI CO., LTD. (JP) | 2016-10-04 | — | — | US | disclosed |
| US-20150315426-A1 | ADHESIVE COMPOSITION | TOAGOSEI CO., LTD. (JP) | 2015-11-05 | — | — | US | disclosed |
| EP-2933302-A1 | ADHESIVE COMPOSITION | Toagosei Co., Ltd (JP) | 2015-10-21 | — | — | EP | disclosed |
| US-8802596-B2 | Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients | BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) | 2014-08-12 | — | — | US | disclosed |
| US-8304507-B2 | Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material | MITSUI CHEMICALS, INC. (JP) | 2012-11-06 | — | — | US | disclosed |
| US-20120264605-A1 | Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) | 2012-10-18 | — | — | US | disclosed |
| US-8232265-B2 | Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients | BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) | 2012-07-31 | — | — | US | disclosed |
| EP-2407498-A2 | Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material | Mitsui Chemicals, Inc. (JP) | 2012-01-18 | — | — | EP | disclosed |
| US-20110112269-A1 | POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM THE POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL | MITSUI CHEMICALS, INC. (JP) | 2011-05-12 | — | — | US | disclosed |
| EP-2295484-A1 | POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM SAME POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL | Mitsui Chemicals, Inc. (JP) | 2011-03-16 | — | — | EP | disclosed |
| US-20070093462-A1 | Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients | BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA | 2007-04-26 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120264605-A1 | Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients | SLC5A6, PNLIP, IPMK | CHRM2 2670/4885CHRM1 3355/4885CHRM3 2400/4885 |
| US-20070093462-A1 | Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients | SLC5A6, PNLIP, IPMK | CHRM2 2670/4885CHRM1 3355/4885CHRM3 2400/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.