Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3024512

CCOC(=O)CC(N)C(=O)OCC.Cl

nearest known ligand 0.46

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
GAA known ✓ P10253 1/20 0.46
CHRM1 known ✓ P11229 1/20 0.42
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 7/20 0.43
ALOX15 P16050 3/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
TRPA1 O75762 1/20 0.43
HSD17B10 Q99714 2/20 0.42
ADORA1 P30542 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37
KMT2A Q03164 2/20 0.36

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 SCHEMBL3024514 1.00 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL29401282 1.00 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL30865523 0.98 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2617390 0.98 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL30722280 0.98 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1172846 0.98 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1172849 0.98 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7644080 0.96 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
Potassium SCHEMBL7644087 0.96 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
Ether SCHEMBL27515108 0.92 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115090422-B Amino acid type collector, and preparation method and application thereof 山东理工大学 2024-04-26 CN claimed
CN-115090422-A Amino acid type collecting agent and preparation method and application thereof 山东理工大学 2022-09-23 CN claimed
US-20240199948-A1 POLYMER SUMITOMO CHEMICAL CO., LTD. (JP) 2024-06-20 US disclosed
CN-115090422-B Amino acid type collector, and preparation method and application thereof 山东理工大学 2024-04-26 CN disclosed
CN-113999136-B Rhein derivative, preparation method and application thereof, and liver cancer inhibitor specifically expressed by RECQL4 山东第一医科大学(山东省医学科学院) 2023-08-04 CN disclosed
US-20230174497-A1 RHEIN AMIDE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF, AND INHIBITOR OF HEPATOCELLULAR CARCINOMA (HCC) WITH SPECIFIC RECQL4 EXPRESSION Shandong First Medical University & Shandong Academy Of Medical Sciences (CN) 2023-06-08 US disclosed
CN-115090422-A Amino acid type collecting agent and preparation method and application thereof 山东理工大学 2022-09-23 CN disclosed
CN-113999136-A Rheum officinale amide derivative, preparation method and application thereof, and liver cancer inhibitor specifically expressed by RECQL4 山东第一医科大学(山东省医学科学院) 2022-02-01 CN disclosed
US-20160168312-A1 ALLOPHANATE COMPOSITION VENCOREX FRANCE (FR) 2016-06-16 US disclosed
EP-2019834-B1 ECTONUCLEOTIDASE INHIBITORS UNIV BONN (DE) 2014-07-09 EP disclosed
US-20100204182-A1 ECTONUCLEOTIDASE INHIBITORS RHEINISCHE FRIEDRICH-WILHELMS-UNIVERSITAT BONN (DE) 2010-08-12 US disclosed
EP-1860113-A1 Ectonucleotidase inhibitors Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2007-11-28 EP disclosed
CN-1683365-A Substituted dioxopentacyclic derivative and its use in preparing neuro regulator POISON MEDICINE INST ACADEMY O (CN) 2005-10-19 CN disclosed
US-20050038109-A1 Macromolecular platinum chelates ACCESS PHARMACEUTICALS, INC. 2005-02-17 US disclosed
WO-2005002508-A2 MACROMOLECULAR PLATINUM CHELATES ACCESS PHARMACEUTICALS, INC. (US) 2005-01-13 WO disclosed
CN-1159288-C Protein modifier, preparation method and use thereof 中国科学院过程工程研究所 2004-07-28 CN disclosed
CN-1405150-A Protein modifier, preparation method and use thereof PROCESS INST CHINESE ACADEMY O (CN) 2003-03-26 CN disclosed
CN-1048703-A Novel propylene acid amides, its preparation method, contain the pharmaceutical preparation of this composition and the application in medicine thereof RICHTER GEDEON VEGYESZET (HU) 1991-01-23 CN disclosed
US-4328367-A HERBICIDE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-05-04 US disclosed
US-4325954-A ANTIDEPRESSANTS LABORATOIRES JACQUES LOGEAIS (FR) 1982-04-20 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-20050038109-A1 Macromolecular platinum chelates FOLR1, LIG3, ABCC1 GAA 2797/4885CHRM1 3135/4885MGAM 4195/4885
US-20230174497-A1 RHEIN AMIDE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF, AND INHIBITOR OF HEPATOCELLULAR CARCINOMA (HCC) WITH SPECIFIC RECQL4 EXPRESSION RECQL, MRTO4, SNU13 GAA 4319/4885CHRM1 4857/4885MGAM 4859/4885
US-20100204182-A1 ECTONUCLEOTIDASE INHIBITORS NT5E, NT5C2, ENTPD1 GAA 317/4885CHRM1 520/4885MGAM 1595/4885

“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.