Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Trimethylammonium. 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 | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NT5E | P21589 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL8167299 | 0.98 | GLA (0.46) | GLAALDH1A1TSHRNT5EMAPT | |
| Acetonitrile SCHEMBL17474635 | 0.94 | ALDH1A1 (0.52) | GLAALDH1A1TSHRNT5EMAPT | |
| Acetonitrile SCHEMBL318491 | 0.94 | ALDH1A1 (0.52) | GLAALDH1A1TSHRNT5EMAPT | |
| Acetonitrile SCHEMBL29256909 | 0.94 | ALDH1A1 (0.52) | GLAALDH1A1TSHRNT5EMAPT | |
| Acetonitrile SCHEMBL28546118 | 0.92 | ALDH1A1 (0.50) | GLAALDH1A1TSHRNT5EMAPT | |
| Acetonitrile SCHEMBL9780143 | 0.92 | ALDH1A1 (0.50) | GLAALDH1A1TSHRNT5EMAPT | |
| Trimethylammonium SCHEMBL8170217 | 0.92 | GLA (0.41) | GLAALDH1A1TSHRNT5EMAPT | |
| Trimethylammonium SCHEMBL3326977 | 0.90 | GAA (0.54) | ALDH1A1TSHRNT5EMAPTTDP1 | |
| N,N-Dimethylethanaminium SCHEMBL5172843 | 0.90 | GLA (0.46) | GLAALDH1A1TSHRNT5EMAPT | |
| Acetonitrile SCHEMBL4629574 | 0.88 | GLA (0.45) | GLAALDH1A1TSHRNT5EMAPT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1758974-B1 | MIXTURES CONSISTING OF AMMONIUM NITRILE BLEACH ACTIVATORS AND OF AMINO ACIDS | CLARIANT PRODUKTE DEUTSCHLAND (DE) | 2008-01-09 | — | — | EP | disclosed |
| EP-1758974-A1 | MIXTURES CONSISTING OF AMMONIUM NITRILE BLEACH ACTIVATORS AND OF AMINO ACIDS | Clariant Produkte (Deutschland) GmbH (DE) | 2007-03-07 | — | — | EP | disclosed |
| WO-2005121295-A1 | MIXTURES CONSISTING OF AMMONIUM NITRILE BLEACH ACTIVATORS AND OF AMINO ACIDS | CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) | 2005-12-22 | — | — | WO | disclosed |
| CN-1198911-C | Bleaching activators based on ammonium nitrile in the form of coated granules | CLARIANT GMBH (DE) | 2005-04-27 | — | — | CN | disclosed |
| CN-1270624-A | Bleaching activators based on ammonium nitrile in the form of coated granules | CLARIANT GMBH (DE) | 2000-10-18 | — | — | CN | disclosed |
| US-6133216-A | ACTIVATOR EXHIBITING IMPROVED PROPERTIES OF ACTIVATOR RELEASE, ABRASION RESISTANCE, SHELF LIFE | CLARIANT GMBH (DE) | 2000-10-17 | — | — | US | disclosed |
| US-6063750-A | AMMONIUM NITRITE WITH NITRILE GROUPS WITH PHYLOSILICATES | CLARIANT GMBH (DE) | 2000-05-16 | — | — | US | disclosed |