Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7170242

C[N+](C)(C)CCCN(CCC[N+](C)(C)C)c1ccc(N)cc1.Cl.Cl.[Cl-].[Cl-]

nearest known ligand 0.47

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 Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA known ✓ P10253 1/20 0.32
CHRM2 known ✓ P08172 1/20 0.31
CHRM4 known ✓ P08173 1/20 0.31
CHRM5 known ✓ P08912 1/20 0.31
CHRM1 known ✓ P11229 1/20 0.31
CHRM3 known ✓ P20309 1/20 0.31
ACHE known ✓ P22303 1/20 0.30
HRH3 known ✓ Q9Y5N1 1/20 0.30
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 2/20 0.47
PSMD14 O00487 1/20 0.47
RECQL P46063 1/20 0.47
GFER P55789 1/20 0.47
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
APEX1 P27695 2/20 0.33

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
Hydrochloric Acid SCHEMBL7162681 0.98 ALDH1A1 (0.48) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL2925251 0.96 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL6657541 0.77 CYP3A4 (0.59) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL5697631 0.77 CYP3A4 (0.59) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL7163645 0.76 ALDH1A1 (0.43) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL1154086 0.76 CYP3A4 (0.57) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL143242 0.75 CYP3A4 (0.61) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL6272221 0.74 ALDH1A1 (0.45) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL45791 0.73 CYP3A4 (0.59) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL14488444 0.73 MEN1 (0.41) ALDH1A1CYP3A4TSHRAPEX1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6565614-B1 Mixture containing quaternary ammonium compound L'OREAL (FR) 2003-05-20 US disclosed