Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5528680

Cl.NOCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.67

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 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 known ✓ P11511 1/20 0.46
IDO1 P14902 8/20 0.67
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 3/20 0.40
LMNA P02545 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
ALDH1A1 P00352 1/20 0.39
VCAM1 P19320 1/20 0.39
AGXT P21549 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
SCHEMBL535425 0.98 IDO1 (0.66) IDO1CYP19A1CYP3A4SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL5529280 0.82 IDO1 (0.64) IDO1CYP3A4TSHRLMNAALDH1A1
Hydrochloric Acid SCHEMBL659130 0.80 IDO1 (1.00) IDO1CYP3A4TSHRLOXL2AGXT
SCHEMBL402251 0.79 IDO1 (0.62) IDO1CYP3A4TSHRLMNAALDH1A1
SCHEMBL11273785 0.79 CYP19A1 (0.50) IDO1CYP19A1CYP3A4SMN1; SMN2POLB
SCHEMBL9808020 0.78 CYP19A1 (0.48) IDO1CYP19A1CYP3A4SMN1; SMN2POLB
SCHEMBL439093 0.78 IDO1 (1.00) IDO1POLBTSHRLOXL2ALDH1A1
Dinitrophenylene SCHEMBL28061358 0.77 IDO1 (0.64) IDO1SMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL7005132 0.74 CYP19A1 (0.45) IDO1CYP19A1CYP3A4SMN1; SMN2POLB
SCHEMBL7005138 0.74 CYP19A1 (0.45) IDO1CYP19A1CYP3A4SMN1; SMN2POLB

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
CN-119899223-A Monophosphoryl lipid A and synthesis method and application thereof 沈阳药科大学 2025-04-29 CN disclosed
US-9512159-B2 Methods for the production of 3-O-deactivated-4′-monophosphoryl lipid A (3D-MLA) CORIXA CORPORATION (US) 2016-12-06 US disclosed
US-20140243513-A1 Methods for the Production of 3-O-Deactivated-4'-Monophosphoryl Lipid A (3D-MLA) GLAXOSMITHKLINE BIOLOGICALS S.A. (BE) 2014-08-28 US disclosed
EP-2465937-B1 Methods for the production of 3-O-deactivated-4'-monophosphoryl lipid A (3D-MLA) CORIXA CORP (US) 2014-08-13 EP disclosed
EP-1461418-B1 METHODS FOR THE PRODUCTION OF 3-O-DEACYLATED-4'-MONOPHOSPHORYL LIPID A (3D-MLA) CORIXA CORP (US) 2013-04-24 EP disclosed
EP-2479280-A1 Methods for the production of 3-O-deactivated-4'-monophosphoryl lipid A (3D-MLA) CORIXA CORPORATION (US) 2012-07-25 EP disclosed
EP-2465937-A1 Methods for the production of 3-o-deactivated-4'-monophosphoryl lipid A (3D-MLA) CORIXA CORPORATION (US) 2012-06-20 EP disclosed
US-20070212758-A1 METHODS FOR THE PRODUCTION OF 3-O-DEACTIVATED-4'-MONOPHOSPHORYL LIPID A (3D-MLA) CONXA CORPORATION (US) 2007-09-13 US disclosed
US-20030031684-A1 Growing a culture of a deep rough mutant bacterial strain in a medium, maintaining in stationary phase for > 5hr, harvesting the cells and extracting lipopolysaccharide CORIXA CORPORATION (US) 2003-02-13 US disclosed