Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9469779

CCCCCCCCCCCCCCCCCCCN(CCC[Si](OC)(OC)OC)Cc1ccccc1.Cl

nearest known ligand 0.49

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 13)

geneUniProtsupporting neighboursconfidence
KCNH2 known ✓ Q12809 5/20 0.49
BCHE known ✓ P06276 5/20 0.47
DRD2 known ✓ P14416 1/20 0.42
OPRM1 known ✓ P35372 1/20 0.42
DRD3 known ✓ P35462 1/20 0.42
OPRD1 known ✓ P41143 1/20 0.42
OPRK1 known ✓ P41145 1/20 0.42
MAOA known ✓ P21397 1/20 0.41
MAOB known ✓ P27338 1/20 0.41
ACHE known ✓ P22303 1/20 0.41
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4428976 0.90 CALM1 (0.47) KCNH2BCHEOPRM1DRD3MAOB
Hydrochloric Acid SCHEMBL9470944 0.88 KCNH2 (0.48) KCNH2BCHEDRD2OPRM1DRD3
Hydrochloric Acid SCHEMBL5070445 0.85 KCNH2 (0.64) KCNH2BCHEDRD2OPRM1DRD3
Hydrochloric Acid SCHEMBL6668969 0.85 KCNH2 (0.64) KCNH2BCHEDRD2OPRM1DRD3
Hydrochloric Acid SCHEMBL6674642 0.85 KCNH2 (0.64) KCNH2BCHEDRD2OPRM1DRD3
Hydrochloric Acid SCHEMBL7178813 0.85 KCNH2 (0.64) KCNH2BCHEDRD2OPRM1DRD3
Hydrochloric Acid SCHEMBL11489606 0.85 KCNH2 (0.64) KCNH2BCHEDRD2OPRM1DRD3
Iodide SCHEMBL10919820 0.85 DRD2 (0.56) KCNH2BCHEDRD2OPRM1DRD3
Hydrochloric Acid SCHEMBL919008 0.84 CARM1 (0.45) BCHEOPRM1OPRD1OPRK1MAPT
SCHEMBL9005868 0.83 KCNH2 (0.66) KCNH2BCHEDRD2OPRM1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0179347-A2 Hair conditioning compositions Revlon, Inc. (US) 1986-04-30 EP claimed
US-4567039-A ORGANOSILICON QUATERNARY AMMONIUM SALT REVLON, INC. (US) 1986-01-28 US claimed
US-5227151-A Method of preparing silicoaluminophosphate compositions using a reagent containing both quaternary ammonium and silicon reactive sites in the same molecule MOBIL OIL CORPORATION (US) 1993-07-13 US disclosed
US-5194410-A Crystallization of a mixture of silica, alkali or alkaline earth metal and quaternary ammonium organosiliconate and recovering a product MOBIL OIL CORPORATION (US) 1993-03-16 US disclosed
EP-0179347-A2 Hair conditioning compositions Revlon, Inc. (US) 1986-04-30 EP disclosed
US-4567039-A ORGANOSILICON QUATERNARY AMMONIUM SALT REVLON, INC. (US) 1986-01-28 US disclosed