Trimethylammonium

Trimethylammonium

SCHEMBL3410652

C=C(CCC(C)(C)C)C(=O)O.CN(C)C.Cl

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 4)

geneUniProtsupporting neighboursconfidence
EGFR known ✓ P00533 1/20 0.31
TET2 Q6N021 5/20 0.41
TET3 O43151 1/20 0.30
TET1 Q8NFU7 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.

Compoundsimilaritytop predictedshared targets
Trimethylammonium SCHEMBL7598206 1.00 TET2 (0.41) TET2EGFRTET3TET1
SCHEMBL27576 0.91 TET2 (0.46) TET2TET3TET1
SCHEMBL10384357 0.81 TET2 (0.42) TET2TET3TET1
Trimethylammonium SCHEMBL9247153 0.78 TET2 (0.54) TET2EGFRTET3TET1
SCHEMBL3622960 0.78 TET2 (0.43) TET2TET3TET1
SCHEMBL16318693 0.77 TET2 (0.42) TET2TET3TET1
SCHEMBL622394 0.76 TET2 (0.38) TET2EGFR
Trimethylammonium SCHEMBL136533 0.76 HDAC3 (0.42) TET2EGFRTET3TET1
SCHEMBL11119852 0.76 TET2 (0.50) TET2TET3TET1
Trimethylammonium SCHEMBL964726 0.76 HDAC3 (0.42) TET2EGFRTET3TET1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023003908-A1 TREATMENT OF EXPOSURE TO VESICANTS BOSTON JUDITH (US) 2023-01-26 WO disclosed
EP-2214650-A2 BUPROPION HYDROBROMIDE AND THERAPEUTIC APPLICATIONS Biovail Laboratories International SRL (BB) 2010-08-11 EP disclosed
EP-2185139-A2 BUPROPION HYDROBROMIDE AND THERAPEUTIC APPLICATIONS BIOVAIL LABORATORIES INTERNATIONAL SRL (BB) 2010-05-19 EP disclosed
WO-2010018408-A2 PHARMACEUTICAL COMPOSITIONS BIOVAIL LABORATORIES INTERNATIONAL (BARBADOS) SRL (BB) 2010-02-18 WO disclosed
WO-2010015692-A2 BUPROPION HYDROBROMIDE POLYMORPHS BIOVAIL LABORATORIES INTERNATIONAL SRL (BB) 2010-02-11 WO disclosed
WO-2009019294-A9 BUPROPION HYDROBROMIDE AND THERAPEUTIC APPLICATIONS BIOVAIL LAB INT SRL (BB) 2009-06-11 WO disclosed
WO-2009056550-A2 BUPROPION HYDROBROMIDE AND THERAPEUTIC APPLICATIONS BIOVAIL LABORATORIES INTERNATIONAL SRL (BB) 2009-05-07 WO disclosed
WO-2009019294-A2 BUPROPION HYDROBROMIDE AND THERAPEUTIC APPLICATIONS BIOVAIL LABORATORIES INTERNATIONAL SRL (BB) 2009-02-12 WO disclosed
US-5126411-A For coatings, films, fibers, adhesives HOECHST AG (DE) 1992-06-30 US disclosed
US-5089570-A Protective colloids HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed