Hydrochloric Acid

Hydrochloric Acid

SCHEMBL443354

Cl.Cl.NNC(=O)CCCc1ccc(N2C(=O)C=CC2=O)cc1

nearest known ligand 0.52

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
HSP90AA1 known ✓ P07900 2/20 0.41
HDAC1 known ✓ Q13547 2/20 0.41
HDAC3 known ✓ O15379 1/20 0.40
HDAC2 known ✓ Q92769 1/20 0.40
HDAC8 known ✓ Q9BY41 1/20 0.40
HDAC6 known ✓ Q9UBN7 1/20 0.40
HDAC5 known ✓ Q9UQL6 1/20 0.40
CACNA1B known ✓ Q00975 1/20 0.38
MGLL Q99685 11/20 0.52
FAAH O00519 5/20 0.52
DDAH1 O94760 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM1A O60341 1/20 0.40
AOC2 O75106 2/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38

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 SCHEMBL44524 1.00 MGLL (0.52) MGLLFAAHDDAH1HSP90AA1NPSR1
SCHEMBL44044 0.99 MGLL (0.54) MGLLFAAHDDAH1HSP90AA1NPSR1
SCHEMBL28390770 0.94 MGLL (0.56) MGLLFAAHDDAH1HSP90AA1NPSR1
SCHEMBL13996136 0.84 MGLL (0.57) MGLLFAAHDDAH1HSP90AA1NPSR1
SCHEMBL741572 0.83 MGLL (0.59) MGLLFAAHDDAH1HSP90AA1NPSR1
SCHEMBL29164209 0.82 MGLL (0.44) MGLLFAAHDDAH1HSP90AA1NPSR1
SCHEMBL15811640 0.82 MGLL (0.49) MGLLFAAHPKMALDH1A1
Hydrochloric Acid SCHEMBL15953486 0.82 MGLL (0.37) MGLLFAAHALDH1A1HPGD
Hydrochloric Acid SCHEMBL28737900 0.82 MGLL (0.58) MGLLFAAHDDAH1HSP90AA1NPSR1
Water SCHEMBL17644778 0.82 MGLL (0.58) MGLLFAAHDDAH1HSP90AA1NPSR1

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 132 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220404334-A1 BIOCHIP HAVING MICROCHANNEL PROVIDED WITH CAPTURING AGENT FOR PERFORMING CYTOLOGICAL ANALYSIS UNIV CASE WESTERN RESERVE (US) 2022-12-22 US disclosed
EP-3186356-B1 BIOCHIPS TO DIAGNOSE HEMOGLOBIN DISORDERS AND MONITOR BLOOD CELLS UNIV CASE WESTERN RESERVE (US) 2022-02-16 EP disclosed
US-11009479-B2 Systems and methods for the detection of HbA1c CASE WESTERN RESERVE UNIVERSITY (US) 2021-05-18 US disclosed
US-20210140941-A1 BIOCHIP HAVING MICROCHANNEL PROVIDED WITH CAPTURING AGENT FOR PERFORMING CYTOLOGICAL ANALYSIS THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERAN AFFAIRS 2021-05-13 US disclosed
US-20210102913-A1 COMPOSITIONS AND METHODS OF DETECTING 17 BETA-ESTRADIOL CASE WESTERN RESERVE UNIVERSITY 2021-04-08 US disclosed
US-10883956-B2 Electrochemical sensor for analyte detection CASE WESTERN RESERVE UNIVERSITY (US) 2021-01-05 US disclosed
US-20200115734-A1 SYSTEM AND METHOD FOR DETECTING NEURAL INJURY CASE WESTERN UNIVERSITY 2020-04-16 US disclosed
EP-3149465-B1 ELECTROCHEMICAL SENSOR FOR ANALYTE DETECTION UNIV CASE WESTERN RESERVE (US) 2020-01-29 EP disclosed
CN-106537130-B Electrochemical sensor for analyte detection 卡斯西部储备大学 2020-01-14 CN disclosed
CN-106461595-B System and method for detecting nerve damage 卡斯西部储备大学 2019-12-06 CN disclosed
US-20100330155-A1 METHODS AND COMPOSITIONS FOR IMPROVED THERAPEUTIC EFFECTS WITH siRNA FLAGSHIP VENTURES (US) 2010-12-30 US disclosed
US-20100317614-A1 COMPOSITIONS AND METHODS FOR PEST CONTROL MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-12-16 US disclosed
US-20100282617-A1 METHODS AND APPARATUS FOR DETECTING MOLECULAR INTERACTIONS USING FET ARRAYS ION TORRENT SYSTEMS INCORPORATED (US) 2010-11-11 US disclosed
US-20100137143-A1 METHODS AND APPARATUS FOR MEASURING ANALYTES ION TORRENT SYSTEMS INCORPORATED (US) 2010-06-03 US disclosed
US-20100035247-A1 Heterogeneous Assay of Analytes in Solution Using Polymers U.S. GENOMICS, INC. (US) 2010-02-11 US disclosed
US-7595160-B2 Analyte detection using barcoded polymers U.S. GENOMICS, INC. (US) 2009-09-29 US disclosed
US-20090215032-A1 ANALYTE DETECTION USING BARCODED POLYMERS U.S. GENOMICS, INC. (US) 2009-08-27 US disclosed
US-20080311040-A1 METHODS AND COMPOSITIONS FOR IMPROVED THERAPEUTIC EFFECTS WITH siRNA FLAGSHIP VENTURES (US) 2008-12-18 US disclosed
US-20080003689-A1 Systems and methods for sample modification using fluidic chambers U.S. GENOMICS, INC. (US) 2008-01-03 US disclosed
US-20070042406-A1 Diffusion mediated clean-up of a target carrier fluid U.S. GENOMICS, INC. (US) 2007-02-22 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 (3 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-20080311040-A1 METHODS AND COMPOSITIONS FOR IMPROVED THERAPEUTIC EFFECTS WITH siRNA NSUN3, AGO2, NSUN2 HSP90AA1 2096/4885HDAC1 726/4885HDAC3 355/4885
US-20100317614-A1 COMPOSITIONS AND METHODS FOR PEST CONTROL MANBA, ENGASE, G6PC1 HSP90AA1 1504/4885HDAC1 578/4885HDAC3 518/4885
US-20100330155-A1 METHODS AND COMPOSITIONS FOR IMPROVED THERAPEUTIC EFFECTS WITH siRNA NSUN3, AGO2, NSUN2 HSP90AA1 2096/4885HDAC1 726/4885HDAC3 355/4885

“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.