Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4558480

C=CCN(Cc1ccccc1)C(C)C.Cl

nearest known ligand 0.46

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
SIGMAR1 known ✓ Q99720 1/20 0.41
ADRA2B known ✓ P18089 1/20 0.41
ADRA2C known ✓ P18825 1/20 0.41
SLC6A2 known ✓ P23975 1/20 0.41
HTR2A known ✓ P28223 1/20 0.41
SLC6A4 known ✓ P31645 1/20 0.41
ADRA1A known ✓ P35348 1/20 0.41
OPRK1 known ✓ P41145 1/20 0.41
SLC6A3 known ✓ Q01959 1/20 0.41
KCNH2 known ✓ Q12809 1/20 0.41
GLA known ✓ P06280 1/20 0.40
GAA known ✓ P10253 2/20 0.39
HDAC3 known ✓ O15379 1/20 0.39
HDAC4 known ✓ P56524 1/20 0.39
HDAC1 known ✓ Q13547 1/20 0.39
HDAC7 known ✓ Q8WUI4 1/20 0.39
HDAC2 known ✓ Q92769 1/20 0.39
HDAC10 known ✓ Q969S8 1/20 0.39
HDAC11 known ✓ Q96DB2 1/20 0.39
HDAC8 known ✓ Q9BY41 1/20 0.39

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
SCHEMBL668944 0.98 SIGMAR1 (0.42) SIGMAR1TSHRKMT2AMEN1ALDH1A1
Bromide SCHEMBL728361 0.96 SIGMAR1 (0.41) SIGMAR1TSHRKMT2AMEN1ALDH1A1
SCHEMBL20871298 0.82 CNR2 (0.45) ALDH1A1SLC6A2SLC6A4OPRK1SMN1; SMN2
SCHEMBL29335402 0.81 PYCR1 (0.62) TSHRALDH1A1OPRK1KDM4ETDP1
SCHEMBL3635237 0.80 TSHR (0.54) SIGMAR1TSHRKMT2AMEN1ALDH1A1
SCHEMBL20871293 0.79 PYCR1 (0.47) SIGMAR1KMT2AMEN1PYCR1
SCHEMBL20871275 0.78 APLNR (0.53) TSHRKMT2AMEN1ALDH1A1SLC6A4
SCHEMBL4448249 0.78 GAA (0.40) TSHRKMT2AALDH1A1LMNANPSR1
SCHEMBL9830076 0.78 MEN1 (0.39) SIGMAR1TSHRKMT2AMEN1ALDH1A1
SCHEMBL26243212 0.77 KMT2A (0.44) SIGMAR1TSHRKMT2AMEN1ALDH1A1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586115-B2 Antimicrobial solutions and process related thereto BYOCOAT ENTERPRISES, INC. (US) 2013-11-19 US disclosed
US-20120264758-A1 ANTIMICROBIAL SOLUTIONS AND PROCESS RELATED THERETO BYOCOAT ENTERPRISES, INC. (US) 2012-10-18 US disclosed
US-20090192165-A1 ANTIMICROBIAL SOLUTIONS AND PROCESS RELATED THERETO BYOCOAT ENTERPRISES, INC. (PR) 2009-07-30 US disclosed
EP-1931209-A1 ANTIMICROBIAL SOLUTIONS AND PROCESS RELATED THERETO Byocoat Enterprises, Inc. (US) 2008-06-18 EP disclosed
WO-2008008362-A2 COMPOSITIONS AND METHODS FOR REDUCING OR PREVENTING MICROORGANISM GROWTH OR SURVIVAL IN AQUEOUS ENVIRONMENTS BYOCOAT ENTERPRISES, INC. (US) 2008-01-17 WO disclosed
WO-2007030104-A1 ANTIMICROBIAL SOLUTIONS AND PROCESS RELATED THERETO BYOCOAT ENTERPRISES, INC. (US) 2007-03-15 WO disclosed
US-20060110506-A1 Antimicrobial solutions and process related thereto BYOCOAT ENTERPRISES, INC. 2006-05-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090192165-A1 ANTIMICROBIAL SOLUTIONS AND PROCESS RELATED THERETO DAO, AGPS, DDC SIGMAR1 955/4885ADRA2B 2149/4885ADRA2C 2411/4885
US-20120264758-A1 ANTIMICROBIAL SOLUTIONS AND PROCESS RELATED THERETO DAO, AGPS, DDC SIGMAR1 955/4885ADRA2B 2149/4885ADRA2C 2411/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.