Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4259347

Cl.Cl.N=C(N)c1ccc(-c2cc3ccccc3[nH]2)c(C(=N)N)c1.O

nearest known ligand 0.56

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
KLKB1 known ✓ P03952 1/20 0.51
F2 P00734 14/20 0.56
F10 P00742 12/20 0.56
PLG P00747 12/20 0.56
PLAU P00749 12/20 0.56
PRSS1 P07477 12/20 0.56
PLAT P00750 9/20 0.56
HPN P05981 3/20 0.56
PRSS2 P07478 3/20 0.56
PRSS3 P35030 3/20 0.56
ST14 Q9Y5Y6 2/20 0.56
F7 P08709 1/20 0.51

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 SCHEMBL29614824 0.99 F2 (0.58) F2F10PLGPLAUPRSS1
Hydrochloric Acid SCHEMBL688900 0.99 F2 (0.58) F2F10PLGPLAUPRSS1
Hydrochloric Acid SCHEMBL1256806 0.99 F2 (0.58) F2F10PLGPLAUPRSS1
Hydrochloric Acid SCHEMBL29692564 0.99 F2 (0.58) F2F10PLGPLAUPRSS1
SCHEMBL419839 0.97 F2 (0.59) F2F10PLGPLAUPRSS1
SCHEMBL29429330 0.97 F2 (0.59) F2F10PLGPLAUPRSS1
SCHEMBL2874094 0.81 F2 (0.59) F2F10PLGPLAUPRSS1
SCHEMBL29493199 0.77 F2 (0.70) F2F10PLGPLAUPRSS1
SCHEMBL2864097 0.75 PLAU (0.52) F2F10PLGPLAUPRSS1
Hydrochloric Acid SCHEMBL6785673 0.74 F2 (0.62) F2F10PLGPLAUPRSS1

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
EP-3034093-B1 COMPOSITIONS AND METHODS OF TREATING TUMORS UNIV PENNSYLVANIA (US) 2019-03-13 EP disclosed
US-10227658-B2 Methods for the analysis of spitz tumor samples ABBOTT MOLECULAR INC. (US) 2019-03-12 US disclosed
EP-3272882-B1 MATERIALS AND METHODS FOR PROGNOSIS OF PROGRESSION OF BARRETT'S ESOPHAGUS ACAD MEDISCH CT (NL) 2019-02-20 EP disclosed
EP-2798080-B1 MATERIALS AND METHODS FOR DIAGNOSIS, AND PROGNOSIS OF PANCREATOBILIARY CANCER ABBOTT MOLECULAR INC (US) 2019-02-20 EP disclosed
EP-3399053-A1 CELL PREPARATIONS AND CELL SUPPORTS AND THEIR USE IN THERANOSIS Abbott Molecular Inc. (US) 2018-11-07 EP disclosed
US-20180291465-A1 MATERIALS AND METHODS FOR ASSESSMENT OF COLORECTAL ADENOMA ABBOTT MOLECULAR INC (US) 2018-10-11 US disclosed
US-9994908-B2 Materials and methods for assessment of colorectal adenoma ABBOTT MOLECULAR INC. (US) 2018-06-12 US disclosed
EP-3272882-A1 MATERIALS AND METHODS FOR PROGNOSIS OF PROGRESSION OF BARRETT'S ESOPHAGUS Academisch Medisch Centrum (NL) 2018-01-24 EP disclosed
EP-2758544-B1 MATERIALS AND METHODS FOR PROGNOSIS OF PROGRESSION OF BARRETT'S ESOPHAGUS ACAD MEDISCH CT (NL) 2017-10-18 EP disclosed
EP-3211099-A1 MATERIALS AND METHODS FOR DIAGNOSIS OF MALIGNANT MELANOMA AND PROGNOSIS OF METASTASIS OF MALIGNANT MELANOMA Abbott Molecular Inc. (US) 2017-08-30 EP disclosed
US-20130149704-A1 MATERIALS AND METHODS FOR DIAGNOSIS OF MALIGNANT MELANOMA AND PROGNOSIS OF METASTASIS OF MALIGNANT MELANOMA ABBOTT MOLECULAR INC. (US) 2013-06-13 US disclosed
US-20130078632-A1 MATERIALS AND METHODS FOR PROGNOSIS OF PROGRESSION OF BARRETT'S ESOPHAGUS ACADEMISCH MEDISCH CENTRUM (NL) 2013-03-28 US disclosed
WO-2013041684-A1 MATERIALS AND METHODS FOR PROGNOSIS OF PROGRESSION OF BARRETT'S ESOPHAGUS ACADEMISCH MEDISCH CENTRUM (NL) 2013-03-28 WO disclosed
US-7625558-B2 Anticancer agents; administering nucleic acid which dimerizes with protein THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-12-01 US disclosed
US-20090010935-A1 Compositions and Methods of Treating Tumors NIH - DEITR 2009-01-08 US disclosed
EP-1745799-A2 Compositions and methods of treating tumors THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-01-24 EP disclosed
EP-1058562-B1 COMPOSITIONS AND METHODS OF TREATING TUMORS UNIV PENNSYLVANIA (US) 2006-08-02 EP disclosed
EP-1058562-A4 COMPOSITIONS AND METHODS OF TREATING TUMORS UNIV PENNSYLVANIA (US) 2003-02-05 EP disclosed
EP-1058562-A1 COMPOSITIONS AND METHODS OF TREATING TUMORS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2000-12-13 EP disclosed
WO-1999044645-A1 COMPOSITIONS AND METHODS OF TREATING TUMORS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1999-09-10 WO disclosed