Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5030802

CNCCNC(=O)OCC1c2ccccc2-c2ccccc21.Cl

nearest known ligand 0.63

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 7)

geneUniProtsupporting neighboursconfidence
OPRD1 known ✓ P41143 1/20 0.43
KMT2A Q03164 2/20 0.63
EPHX2 P34913 1/20 0.51
CASP3 P42574 1/20 0.46
CXCR2 P25025 1/20 0.44
FABP5 Q01469 2/20 0.44
FABP7 O15540 1/20 0.44

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
SCHEMBL4740795 0.99 KMT2A (0.64) KMT2AEPHX2CASP3CXCR2FABP5
Hydrochloric Acid SCHEMBL693423 0.92 KMT2A (0.67) KMT2AEPHX2CASP3CXCR2FABP5
SCHEMBL697928 0.90 KMT2A (0.73) KMT2AEPHX2CASP3CXCR2FABP5
SCHEMBL693424 0.90 KMT2A (0.69) KMT2AEPHX2CASP3CXCR2FABP5
SCHEMBL18376140 0.87 KMT2A (0.64) KMT2AEPHX2CASP3CXCR2FABP5
Hydrochloric Acid SCHEMBL31419532 0.87 KMT2A (0.64) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL20126921 0.87 KMT2A (0.60) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL92796 0.86 KMT2A (0.66) KMT2AEPHX2CASP3CXCR2FABP5
SCHEMBL31419531 0.86 KMT2A (0.66) KMT2AEPHX2CASP3CXCR2FABP5
SCHEMBL31305073 0.85 KMT2A (0.62) KMT2AEPHX2CASP3CXCR2FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024235133-A1 POLYCYCLIC DRUG CONJUGATE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-11-21 WO disclosed
WO-2024235120-A1 FUSED RING COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-11-21 WO disclosed
WO-2024235130-A1 POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-11-21 WO disclosed
US-9688663-B2 Crosslinking reagents, methods, and compositions for studying protein-protein interactions Cell Mosaic, Inc. (US) 2017-06-27 US disclosed
US-20160159777-A1 CROSSLINKING REAGENTS, METHODS, AND COMPOSITIONS FOR STUDYING PROTEIN-PROTEIN INTERACTIONS CELLMOSAIC INC (US) 2016-06-09 US disclosed
EP-1984726-B1 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION DH TECHNOLOGIES DEV PTE LTD (SG) 2015-06-17 EP disclosed
US-8975404-B2 Labeling reagents for analyte determination and methods and compounds used in making the same DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2015-03-10 US disclosed
CN-102933554-A Crosslinking reagents, methods, and compositions for studying protein-protein interactions HUANG YUMEI 2013-02-13 CN disclosed
US-20120322978-A1 CROSSLINKING REAGENTS, METHODS, AND COMPOSITIONS FOR STUDYING PROTEIN-PROTEIN INTERACTIONS CELLMOSAIC, LLC 2012-12-20 US disclosed
EP-1984726-A2 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION Applera Corporation (US) 2008-10-29 EP disclosed
US-20070218560-A1 Methods, Mixtures, Kits and Compositions Pertaining to Analyte Determination APPLERA CORPORATION. (US) 2007-09-20 US disclosed
WO-2007087534-A2 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION APPLERA CORPORATION (US) 2007-08-02 WO disclosed
US-20050043304-A1 Novel amine derivative having human beta-tryptase inhibitory activity and drugs containing the same MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-02-24 US disclosed
EP-1445250-A1 NOVEL AMINE DERIVATIVE HAVING HUMAN BETA-TRYPTASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2004-08-11 EP 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 (4 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-20120322978-A1 CROSSLINKING REAGENTS, METHODS, AND COMPOSITIONS FOR STUDYING PROTEIN-PROTEIN INTERACTIONS STUB1, PFN1, PFDN1 OPRD1 4547/4885KMT2A 2126/4885EPHX2 1517/4885
US-20070218560-A1 Methods, Mixtures, Kits and Compositions Pertaining to Analyte Determination SRMS, CA13, KLK3 OPRD1 4102/4885KMT2A 2584/4885EPHX2 42/4885
US-20050043304-A1 Novel amine derivative having human beta-tryptase inhibitory activity and drugs containing the same TPSAB1, TPSB2, TPSD1 OPRD1 779/4885KMT2A 2206/4885EPHX2 1458/4885
US-20160159777-A1 CROSSLINKING REAGENTS, METHODS, AND COMPOSITIONS FOR STUDYING PROTEIN-PROTEIN INTERACTIONS PBDC1, RCSD1, STUB1 OPRD1 2431/4885KMT2A 4097/4885EPHX2 1087/4885

“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.