Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CALCRLCHRM1CHRM2CHRM3F2RMAOAMAOBMAP2K1MAP2K2NTRK1NTRK2NTRK3OPRD1OPRK1OPRM1P2RY12PKLRSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASLC18A2SLC6A2SLC6A3TLR7TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8dacAdacBdacCfolAftsImrcAmrcBmrdApolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmB1rpmB2rpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmHrpmIrpmJrpmJ2rpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsR1rpsR2rpsSrpsTrpsUrpsZykgMykgO
The experimentally established mechanism targets of N,N-Dimethylethanaminium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLO1 | Q04760 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL3054230 | 0.93 | GLO1 (0.40) | GLO1CYP2D6CYP2C19CYP2C9NPSR1 | |
| Trimethylammonium SCHEMBL17712424 | 0.86 | GLO1 (0.45) | GLO1CYP2D6CYP2C19CYP2C9NPSR1 | |
| Trimethylammonium SCHEMBL16429829 | 0.86 | GLO1 (0.45) | GLO1CYP2D6CYP2C19CYP2C9NPSR1 | |
| SCHEMBL134789 | 0.84 | GLO1 (0.50) | GLO1CYP2D6CYP2C19CYP2C9NPSR1 | |
| SCHEMBL1618911 | 0.84 | GLO1 (0.50) | GLO1CYP2D6CYP2C19CYP2C9NPSR1 | |
| Sulfuric Acid SCHEMBL16660529 | 0.82 | CHRM1 (0.42) | CYP2C19NPSR1ALDH1A1LMNAMAPT | |
| Sulfuric Acid SCHEMBL28116564 | 0.82 | CHRM1 (0.42) | CYP2C19NPSR1ALDH1A1LMNAMAPT | |
| Water SCHEMBL7175634 | 0.82 | GLO1 (0.48) | GLO1CYP2D6CYP2C19CYP2C9NPSR1 | |
| Sulfuric Acid SCHEMBL2378917 | 0.79 | GLO1 (0.42) | GLO1CYP2D6CYP2C19CYP2C9NPSR1 | |
| Dimethylamine SCHEMBL447225 | 0.78 | GLO1 (0.45) | GLO1CYP2D6CYP2C19CYP2C9NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1687348-B1 | COPOLYMERS COMPRISING POLYALKYLENE OXIDE GROUPS AND QUATERNARY NITROGEN ATOMS | BASF SE (DE) | 2008-11-12 | — | — | EP | claimed |
| EP-3467086-B1 | DISHWASHING CLEANING COMPOSITION | PROCTER & GAMBLE (US) | 2021-03-24 | — | — | EP | disclosed |
| US-10815327-B2 | Copolymers comprising polyalkylene oxide groups and quaternary nitrogen atoms | BASF SE (DE) | 2020-10-27 | — | — | US | disclosed |
| US-10731106-B2 | Dishwashing cleaning composition | THE PROCTER & GAMBLE COMPANY (US) | 2020-08-04 | — | — | US | disclosed |
| US-10723979-B2 | Dishwashing cleaning composition | THE PROCTER & GAMBLE COMPANY (US) | 2020-07-28 | — | — | US | disclosed |
| EP-3440121-B1 | COPOLYMERS COMPRISING POLYALKYLENE OXIDE GROUPS AND QUATERNARY NITROGEN ATOMS | BASF SE (DE) | 2020-05-06 | — | — | EP | disclosed |
| EP-3228687-B1 | DISHWASHING CLEANING COMPOSITION | PROCTER & GAMBLE (US) | 2019-05-22 | — | — | EP | disclosed |
| US-20190106658-A1 | DISHWASHING CLEANING COMPOSITION | THE PROCTER & GAMBLE COMPANY | 2019-04-11 | — | — | US | disclosed |
| WO-2019070924-A1 | DISHWASHING CLEANING COMPOSITION | THE PROCTER & GAMBLE COMPANY (US) | 2019-04-11 | — | — | WO | disclosed |
| WO-2019070923-A1 | DISHWASHING CLEANING COMPOSITION | THE PROCTER & GAMBLE COMPANY (US) | 2019-04-11 | — | — | WO | disclosed |
| EP-3440121-A1 | COPOLYMERS COMPRISING POLYALKYLENE OXIDE GROUPS AND QUATERNARY NITROGEN ATOMS | BASF SE (DE) | 2019-02-13 | — | — | EP | disclosed |
| US-20170292093-A1 | DISHWASHING CLEANING COMPOSITION | THE PROCTER & GAMBLE COMPANY | 2017-10-12 | — | — | US | disclosed |
| WO-2017174468-A1 | COPOLYMERS COMPRISING POLYALKYLENE OXIDE GROUPS AND QUATERNARY NITROGEN ATOMS | BASF SE (DE) | 2017-10-12 | — | — | WO | disclosed |
| WO-2017176500-A1 | DISHWASHING CLEANING COMPOSITION | THE PROCTER & GAMBLE COMPANY (US) | 2017-10-12 | — | — | WO | disclosed |
| EP-3228687-A1 | DISHWASHING CLEANING COMPOSITION | The Procter and Gamble Company (US) | 2017-10-11 | — | — | EP | disclosed |
| EP-1685227-B1 | LAUNDRY COMPOSITIONS HAVING COPOLYMERS CONTAINING POLYALKYLENE OXIDE GROUPS AND QUATERNARY NITROGEN ATOMS AND A SURFACTANT SYSTEM | PROCTER & GAMBLE (US) | 2008-08-20 | — | — | EP | disclosed |
| US-20070129516-A1 | Copolymers comprising polyalkylene oxide groups and quaternary nitrogen atoms | DETERING JUERGEN | 2007-06-07 | — | — | US | disclosed |
| EP-1685227-A1 | LAUNDRY COMPOSITIONS HAVING COPOLYMERS CONTAINING POLYALKYLENE OXIDE GROUPS AND QUATERNARY NITROGEN ATOMS AND A SURFACTANT SYSTEM | THE PROCTER & GAMBLE COMPANY (US) | 2006-08-02 | — | — | EP | disclosed |
| WO-2005052107-A1 | LAUNDRY COMPOSITIONS HAVING COPOLYMERS CONTAINING POLYALKYLENE OXIDE GROUPS AND QUANTERNARY NITROGEN ATOMS AND A SURFACTANT SYSTEM | THE PROCTER & GAMBLE COMPANY (US) | 2005-06-09 | — | — | WO | disclosed |
| US-20050113280-A1 | Laundry compositions having copolymers containing polyalkylene oxide groups and quaternary nitrogen atoms and a surfactant system | PROCTER & GAMBLE COMPANY, THE | 2005-05-26 | — | — | US | disclosed |