Hydrochloric Acid

Hydrochloric Acid

SCHEMBL756845

CCN=C=NC(CC)N(CC)CC.Cl

nearest known ligand 0.31

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 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 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
SCHEMBL356196 0.98 CYP1A2 (0.32) CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL5078995 0.81 CYP1A2 (0.36) CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL153625 0.81 CYP1A2 (0.36) CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL1071947 0.81 CYP1A2 (0.36) CYP1A2CYP2D6
SCHEMBL2568072 0.78 CYP1A2 (0.38) CYP1A2CYP2D6
SCHEMBL34280 0.78 CYP1A2 (0.38) CYP1A2CYP2D6
SCHEMBL252711 0.78
Hydrochloric Acid SCHEMBL6017809 0.77 CYP1A2 (0.32) CYP1A2CYP2D6
Carbimide SCHEMBL7717116 0.76 CYP1A2 (0.33) CYP1A2CYP2D6
SCHEMBL9725035 0.76 TRPA1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080563-A RADICAL-MEDIATED DECARBOXYLATION OF PERACETYLATED N-ACETYLNEURAMINIC ACID BY MIXING WITH 1.0 EQUIVALENT OF ETHYL(DIETHYLAMINO)PROPYLCARBODIIMIDE HYDROCHLORIDE IN PRESENCE OF EXCESS OF THIOHYDROXAMATE THE SCRIPPS RESEARCH INSTITUTE (US) 2000-06-27 US claimed
US-20200347450-A1 Parallel Polymer Sequencing Methods MIR KALIM U (US) 2020-11-05 US disclosed
US-20190136312-A1 Parallel Polymer Sequencing Methods MIR KALIM U (US) 2019-05-09 US disclosed
EP-2914607-B1 PHOTOCLEAVABLE LINKER MOLECULES WITH DIARYLSULPHID BACKBONE FOR TRANSIENT BIOCONJUGATE SYNTHESIS VENTANA MED SYST INC (US) 2017-11-29 EP disclosed
US-9790243-B2 Photocleavable linker molecules with diarylsulphide backbone for transient bioconjugate synthesis VENTANA MEDICAL SYSTEMS, INC. (US) 2017-10-17 US disclosed
US-20160040227-A1 PARALLEL POLYMER SEQUENCING METHODS MIR KALIM U (US) 2016-02-11 US disclosed
US-20150284415-A1 PHOTOCLEAVABLE LINKER MOLECULES WITH DIARYLSULPHID BACKBONE FOR TRANSIENT BIOCONJUGATE SYNTHESIS VENTANA MED SYST INC (US) 2015-10-08 US disclosed
US-20140162892-A1 Parallel polymer sequencing mothods MIR KALIM U (GB) 2014-06-12 US disclosed
EP-2431481-A1 Parallel polymer sequencing methods Mir, Kalim (GB) 2012-03-21 EP disclosed
EP-1689881-B1 PARALLEL NUCLEIC ACID SEQUENCING METHODS ISIS INNOVATION (GB) 2011-08-24 EP disclosed
WO-2002053780-A2 5'-THIO PHOSPHATE DIRECTED LIGATION OF OLIGONUCLEOTIDES AND USE IN DETECTION OF SINGLE NUCLEOTIDE POLYMORPHISMS MOLECULAR STAGING, INC. (US) 2002-07-11 WO disclosed
EP-0731091-B1 2-OXOINDOLINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS TANABE SEIYAKU CO (JP) 2002-01-02 EP disclosed
US-5807883-A GASTROINTESTINAL DISORDERS; PANCREATITIS TANABE SEIYAKU CO., LTD. (JP) 1998-09-15 US disclosed
US-5672615-A MATRIX-DEGRADING METALLOPROTEINASE INHIBITORS NOVARTIS CORPORATION (US) 1997-09-30 US disclosed
EP-0731091-A1 2-OXOINDOLINE DERIVATIVE TANABE SEIYAKU CO., LTD. (JP) 1996-09-11 EP disclosed
EP-0486478-A2 Renin-inhibiting peptides THE UPJOHN COMPANY (US) 1992-05-20 EP disclosed
US-4880781-A HYPOTENSIVE AGENTS THE UPJOHN COMPANY (US) 1989-11-14 US disclosed
EP-0173481-A2 Peptides THE UPJOHN COMPANY (US) 1986-03-05 EP disclosed
US-4110432-A PROPHYLAXIS BURROUGHS WELLCOME CO. (US) 1978-08-29 US disclosed
US-4087283-A CARBODIIMIDE AND N-HYDROXY CYCLIC AMINE GAF CORPORATION (US) 1978-05-02 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 (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-20150284415-A1 PHOTOCLEAVABLE LINKER MOLECULES WITH DIARYLSULPHID BACKBONE FOR TRANSIENT BIOCONJUGATE SYNTHESIS DHFR, DTYMK, DNPEP CYP1A2 4303/4885CYP2D6 3249/4885

“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.