Hydrochloric Acid

Hydrochloric Acid

SCHEMBL20840339

CCCCCCCC/C=C\CCCCCCCCN(C=O)CCCCCCCCCCCCCCCC.Cl.Cl.Cl

nearest known ligand 0.57

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
PPARG known ✓ P37231 3/20 0.46
CHRM1 known ✓ P11229 1/20 0.46
TOP1 known ✓ P11387 1/20 0.46
CYP19A1 known ✓ P11511 1/20 0.46
PTGS1 known ✓ P23219 1/20 0.46
SLC6A2 known ✓ P23975 1/20 0.46
FLT3 known ✓ P36888 1/20 0.46
KCNH2 known ✓ Q12809 1/20 0.46
FAAH O00519 4/20 0.57
TRPV1 Q8NER1 2/20 0.57
TSHR P16473 1/20 0.46
EPHX2 P34913 3/20 0.46
TERT O14746 3/20 0.46
PTPN1 P18031 3/20 0.46
PPARD Q03181 3/20 0.46
PPARA Q07869 3/20 0.46
CYP1A2 P05177 2/20 0.46
MAPT P10636 2/20 0.46
CYP2C19 P33261 2/20 0.46
BLM P54132 2/20 0.46

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
SCHEMBL5175358 0.98 FAAH (0.59) FAAHTRPV1TSHREPHX2TERT
SCHEMBL5171649 0.98 FAAH (0.59) FAAHTRPV1TSHREPHX2TERT
SCHEMBL5174206 0.98 FAAH (0.59) FAAHTRPV1TSHREPHX2TERT
SCHEMBL5174196 0.98 FAAH (0.59) FAAHTRPV1TSHREPHX2TERT
Hydrochloric Acid SCHEMBL22445470 0.89 DNM1 (0.50) FAAHTRPV1TSHR
SCHEMBL3962903 0.87 ADH1C (0.52) FAAHTRPV1TSHR
SCHEMBL95389 0.87 ADH1C (0.52) FAAHTRPV1TSHR
SCHEMBL5479572 0.87 ADH1C (0.52) FAAHTRPV1TSHR
SCHEMBL55195 0.87 ADH1C (0.52) FAAHTRPV1TSHR
SCHEMBL277587 0.87 ADH1C (0.52) FAAHTRPV1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3833761-A1 NOVEL CAS12B ENZYMES AND SYSTEMS The Broad Institute, Inc. (US) 2021-06-16 EP disclosed
EP-3728575-A1 CAS12B SYSTEMS, METHODS, AND COMPOSITIONS FOR TARGETED DNA BASE EDITING The Broad Institute, Inc. (US) 2020-10-28 EP disclosed
EP-3728576-A1 CAS12B SYSTEMS, METHODS, AND COMPOSITIONS FOR TARGETED RNA BASE EDITING The Broad Institute, Inc. (US) 2020-10-28 EP disclosed
EP-3727469-A1 NOVEL CRISPR ENZYMES AND SYSTEMS The Broad Institute, Inc. (US) 2020-10-28 EP disclosed
EP-3728588-A2 CAS12A SYSTEMS, METHODS, AND COMPOSITIONS FOR TARGETED RNA BASE EDITING The Broad Institute, Inc. (US) 2020-10-28 EP disclosed
WO-2020191102-A1 TYPE VII CRISPR PROTEINS AND SYSTEMS THE BROAD INSTITUTE, INC. (US) 2020-09-24 WO disclosed
EP-3684397-A1 SYSTEMS, METHODS, AND COMPOSITIONS FOR TARGETED NUCLEIC ACID EDITING The Broad Institute, Inc. (US) 2020-07-29 EP disclosed
WO-2020033601-A1 NOVEL CAS12B ENZYMES AND SYSTEMS THE BROAD INSTITUTE, INC. (US) 2020-02-13 WO disclosed
WO-2019060746-A1 SYSTEMS, METHODS, AND COMPOSITIONS FOR TARGETED NUCLEIC ACID EDITING THE BROAD INSTITUTE, INC. (US) 2019-03-28 WO disclosed