Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5029119

CC(C)Cc1ccccc1OC(C)NC(C)(C)c1ccccc1.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 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 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 3/20 0.34
SLC6A4 known ✓ P31645 2/20 0.34
KCNH2 known ✓ Q12809 2/20 0.34
GABRA1 known ✓ P14867 1/20 0.33
GABRB2 known ✓ P47870 1/20 0.33
SLC6A3 known ✓ Q01959 1/20 0.32
RIPK1 Q13546 1/20 0.32
CYP2D6 P10635 1/20 0.32
ATM Q13315 2/20 0.32
AOC3 Q16853 1/20 0.31
POLB P06746 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
HPGD P15428 1/20 0.30
HTT P42858 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
Hydrochloric Acid SCHEMBL7748984 0.90 SLC6A2 (0.32) SLC6A2SLC6A4KCNH2GABRA1GABRB2
Hydrochloric Acid SCHEMBL512162 0.90 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL1013751 0.88 GABRA1 (0.34) GABRA1GABRB2RIPK1
Hydrochloric Acid SCHEMBL1858922 0.80 GABRA1 (0.31) GABRA1GABRB2
Hydrochloric Acid SCHEMBL11607442 0.80 GABRA1 (0.30) GABRA1GABRB2
SCHEMBL25267340 0.79 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL2436484 0.72
SCHEMBL10160283 0.72 SLC6A2 (0.48) SLC6A2SLC6A4KCNH2GABRA1GABRB2
SCHEMBL11991402 0.71 SLC6A2 (0.50) SLC6A2SLC6A4KCNH2GABRA1GABRB2
Hydrochloric Acid SCHEMBL9796807 0.71 KCNN4 (0.36) KCNH2CYP2D6SLC6A3L3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2863875-A2 MOUTH RINSE EMULSIONS The Procter & Gamble Company (US) 2015-04-29 EP claimed
WO-2013192382-A2 MOUTH RINSE EMULSIONS THE PROCTER & GAMBLE COMPANY (US) 2013-12-27 WO claimed
WO-2024123555-A2 ANHYDROUS ORAL CARE COMPOSITIONS OF ADDUCTS OF ALKALI METAL PYROPHOSPHATES AND PEROXIDES ISP INVESTMENTS LLC (US) 2024-06-13 WO disclosed
WO-2022076334-A2 CLEANING COMPOSITION COMPRISING AN ALPHA-DIOXYGENASE THE PROCTER & GAMBLE COMPANY (US) 2022-04-14 WO disclosed
WO-2021067683-A1 CARBOMER BASED TOOTH PASTE COMPOSITION COMPRISING CROSSLINKED POLYVINYLPYRROLIDONE FOR BUILDING VISCOSITY ISP INVESTMENTS LLC (US) 2021-04-08 WO disclosed
WO-2020219323-A1 REDUCTION OF TOOTH STAINING DERIVED FROM CATIONIC ANTIMICROBIALS THE PROCTER & GAMBLE COMPANY (US) 2020-10-29 WO disclosed
WO-2016073535-A1 ANTI-TATAR ORAL CARE COMPOSITIONS PROVIDING CRYSTALLISATION PREVENTION THE PROCTER & GAMBLE COMPANY (US) 2016-05-12 WO disclosed
EP-2863875-A2 MOUTH RINSE EMULSIONS The Procter & Gamble Company (US) 2015-04-29 EP disclosed
WO-2013192382-A2 MOUTH RINSE EMULSIONS THE PROCTER & GAMBLE COMPANY (US) 2013-12-27 WO disclosed
WO-2008042944-A2 NON-IRRITATING ORAL CARE FORMULATIONS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-04-10 WO disclosed
EP-1545265-A1 ORAL COMPOSITIONS AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-06-29 EP disclosed
EP-1545446-A1 LIQUID DENTRIFICE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2005-06-29 EP disclosed
WO-2004032889-A1 LIQUID DENTRIFICE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2004-04-22 WO disclosed
WO-2004032674-A1 ORAL COMPOSITIONS AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2004-04-22 WO disclosed
WO-2002022096-A2 ORAL COMPOSITIONS FOR MOISTRIZING THE ORAL CAVITY THE PROCTER & GAMBLE COMPANY (US) 2002-03-21 WO disclosed