Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.68 |
| ▸ | DNM1 | Q05193 | 12/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.54 |
| ▸ | RAD52 | P43351 | 2/20 | 0.54 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.50 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6933087 | 1.00 | HTT (0.68) | HTTDNM1KMT2AHSP90AA1RAD52 | |
| SCHEMBL17180030 | 1.00 | HTT (0.68) | HTTDNM1KMT2AHSP90AA1RAD52 | |
| SCHEMBL4919747 | 1.00 | HTT (0.68) | HTTDNM1KMT2AHSP90AA1RAD52 | |
| Didecyldimethylammonium SCHEMBL29084788 | 0.98 | HTT (0.65) | HTTDNM1KMT2AHSP90AA1RAD52 | |
| Sulfuric Acid SCHEMBL25278416 | 0.93 | HTT (0.71) | HTTDNM1KMT2AHSP90AA1RAD52 | |
| Sulfuric Acid SCHEMBL711964 | 0.93 | HTT (0.71) | HTTDNM1KMT2AHSP90AA1RAD52 | |
| Didecyldimethylammonium SCHEMBL7774195 | 0.93 | HTT (0.71) | HTTDNM1KMT2AHSP90AA1RAD52 | |
| Didecyldimethylammonium SCHEMBL28027086 | 0.93 | HTT (0.71) | HTTDNM1KMT2AHSP90AA1RAD52 | |
| Sulfuric Acid SCHEMBL28640579 | 0.93 | HTT (0.71) | HTTDNM1KMT2AHSP90AA1RAD52 | |
| Sulfuric Acid SCHEMBL23248612 | 0.93 | HTT (0.71) | HTTDNM1KMT2AHSP90AA1RAD52 |
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 |
| CN-102977309-B | Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material | MITSU CHEMICALS INC | 2015-04-15 | — | — | CN | disclosed |
| CN-102066450-B | Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material | MITSUI CHEMICALS INC | 2013-11-06 | — | — | CN | disclosed |
| CN-102977309-A | Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material | MITSUI CHEMICALS INC | 2013-03-20 | — | — | CN | 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 |
| 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 |
| CN-102066450-A | Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material | MITSUI CHEMICALS INC | 2011-05-18 | — | — | CN | 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 |