Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3242018

Cl.N[C@@H](CCC(=O)OC(=O)[C@@H](N)CS)C(=O)[O-].[Na+]

nearest known ligand 0.34

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 4)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 1/20 0.34
SLC7A11 Q9UPY5 1/20 0.34
ANPEP P15144 2/20 0.31
ENPEP Q07075 2/20 0.31

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
SCHEMBL27311115 0.86 SLC1A1 (0.32)
SCHEMBL3190190 0.84 PTGS1 (0.40) PTGS1SLC7A11ANPEPENPEP
Potassium Ion SCHEMBL27967948 0.83 SLC1A1 (0.32)
SCHEMBL1644848 0.82 SLC1A1 (0.37)
SCHEMBL29155451 0.82 SLC1A1 (0.46) ANPEPENPEP
SCHEMBL344252 0.81 PTGS1 (0.52) PTGS1SLC7A11ANPEPENPEP
Potassium Ion SCHEMBL27402886 0.81 SLC1A1 (0.35)
SCHEMBL7927272 0.80 PTGS1 (0.46) PTGS1SLC7A11ANPEPENPEP
SCHEMBL2873837 0.80 PTGS1 (0.46) PTGS1SLC7A11ANPEPENPEP
SCHEMBL29223494 0.79 SLC1A1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130157260-A1 IDENTIFICATION OF COMPOUNDS THAT REGULATE APOPTOSIS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2013-06-20 US disclosed
US-20100292145-A1 METHODS OF REGULATING APOPTOSIS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2010-11-18 US disclosed
US-7745574-B2 Compounds that regulate apoptosis THE BURNHAM INSTITUTE (US) 2010-06-29 US disclosed
WO-2008154207-A9 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-04-22 WO disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 US disclosed
WO-2008154207-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2008-12-18 WO disclosed
US-7332161-B2 Treatment of disease with antibodies against high molecular weight kininogen domain 5 TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-02-19 US disclosed
US-20070054863-A1 Compounds that regulate apoptosis NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-03-08 US disclosed
WO-2006124537-A1 COMPOUNDS THAT REGULATE APOPTOSIS THE BURNHAM INSTITUTE (US) 2006-11-23 WO disclosed
US-20060115471-A1 Treatment of disease with antibodies against high molecular weight kininogen domain 5 TEMPLE UNIVERSITY - OF THE COMMONWEALTH OF HIGHER EDUCATION (US) 2006-06-01 US disclosed
US-6284726-B1 ADMINISTERING POLYPEPTIDE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2001-09-04 US disclosed
WO-2001056591-A1 vMIP-II PEPTIDE ANTAGONISTS OF CXCR4 THOMAS JEFFERSON UNIVERSITY (US) 2001-08-09 WO disclosed
WO-2001034195-A1 INHIBITION OF ANGIOGENESIS BY ANTIBODIES AGAINST HIGH MOLECULAR WEIGHT KININOGEN DOMAIN 5 TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2001-05-17 WO disclosed
EP-1044012-A1 INHIBITION OF ANGIOGENESIS BY PEPTIDE ANALOGS OF HIGH MOLECULAR WEIGHT KININOGEN DOMAIN 5 Temple University of the Commonwealth System of Higher Education (US) 2000-10-18 EP disclosed
WO-2000059526-A1 ENHANCEMENT OF PEPTIDE CELLULAR UPTAKE THOMAS JEFFERSON UNIVERSITY (US) 2000-10-12 WO disclosed
WO-2000059928-A1 CHEMOKINE-DERIVED SYNTHETIC PEPTIDES THOMAS JEFFERSON UNIVERSITY (US) 2000-10-12 WO disclosed
WO-2000035407-A2 INHIBITION OF ANGIOGENESIS BY HIGH MOLECULAR WEIGHT KININOGEN DOMAIN 3 PEPTIDE ANALOGS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-06-22 WO disclosed
WO-2000027415-A2 INHIBITION OF ANGIOGENESIS BY PEPTIDE ANALOGS OF HIGH MOLECULAR WEIGHT KININOGEN DOMAIN 5 TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-05-18 WO disclosed
WO-2000027866-A1 INHIBITION OF ANGIOGENESIS BY HIGH MOLECULAR WEIGHT KININOGEN AND PEPTIDE ANALOGS THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-05-18 WO disclosed
WO-1999033342-A1 METHOD OF SUPPRESSING TUMOR CELL GROWTH BY ADMINISTERING DECORIN THOMAS JEFFERSON UNIVERSITY (US) 1999-07-08 WO 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 (1 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-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS BCL2, BAX, BAD PTGS1 1814/4885SLC7A11 4690/4885ANPEP 3172/4885

“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.