Hydrochloric Acid

Hydrochloric Acid

SCHEMBL354779

CC(N)N1C(=O)C=CC1=O.Cl

nearest known ligand 0.39

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 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 known ✓ P07900 1/20 0.30
MGLL Q99685 6/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
GMNN O75496 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
THPO P40225 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FAAH O00519 2/20 0.33
CCR6 P51684 1/20 0.30

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
SCHEMBL969752 0.97 MGLL (0.41) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL29017 0.75 MGLL (0.45) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL43978 0.75 MGLL (0.45) MGLLGSK3AGSK3BGMNNALDH1A1
Hydrochloric Acid SCHEMBL28815853 0.74 MGLL (0.36) MGLLGSK3AGSK3BNPSR1FAAH
SCHEMBL31185062 0.74 MGLL (0.39) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL24574686 0.73 ALDH1A1 (0.36) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL22503763 0.72 MGLL (0.38) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL331187 0.70 MGLL (0.41) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL2832318 0.70 MGLL (0.41) MGLLGSK3AGSK3BGMNNALDH1A1
SCHEMBL22289873 0.70 MGLL (0.41) MGLLGSK3AGSK3BGMNNALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015373-A1 ACRIDONE DERIVATIVES AS LABELS FOR FLUORESCENCE DETECTION OF TARGET MATERIALS GE HEALTHCARE UK LIMITED (GB) 2012-01-19 US disclosed
US-8034558-B2 Incubating dye of given formula with biological material, measuring fluorescence lifetime; lectins/glycoproteins, biotin/streptavidin, DNA/RNA GE HEALTHCARE UK LIMITED (GB) 2011-10-11 US disclosed
EP-1507869-B1 IMPROVED RECEPTOR DETECTION DISCOVERX CORP (US) 2010-01-20 EP disclosed
US-20080139788-A1 ACRIDONE DERIVATIVES AS LABELS FOR FLUORESCENCE DETECTION OF TARGET MATERIALS GE HEALTHCARE UK LIMITED (GB) 2008-06-12 US disclosed
US-7138504-B2 Reagents and methods for mycophenolic acid immunoassay MICROGENICS CORPORATION (US) 2006-11-21 US disclosed
EP-1507869-A4 IMPROVED RECEPTOR DETECTION DISCOVERX INC (US) 2006-10-25 EP disclosed
US-20060035297-A1 Reagents and methods for mycophenolic acid immunoassay MICROGENICS CORPORATION 2006-02-16 US disclosed
EP-1507869-A2 IMPROVED RECEPTOR DETECTION Discoverx, Inc. (US) 2005-02-23 EP disclosed
US-20040191792-A1 Acridone derivatives as labels for fluorescence detection of target materials GE HEALTHCARE UK LIMITED (GB) 2004-09-30 US disclosed
EP-1392776-A2 ACRIDONE DERIVATIVES AS LABELS FOR FLUORESCENCE DETECTION OF TARGET MATERIALS Amersham Biosciences UK Limited (GB) 2004-03-03 EP disclosed
EP-0880029-B1 Immunoassay for glucuronide metabolites of LSD MICROGENICS CORP (US) 2001-01-17 EP disclosed
US-6159747-A Analytical test element with a blister filled with liquid ROCHE DIAGNOSTICS GMBH (DE) 2000-12-12 US disclosed
US-5976812-A Activated amphetamines ROCHE DIAGNOSTICS GMBH (DE) 1999-11-02 US disclosed
WO-1999042840-A1 IMMUNOASSAYS FOR DETERMINATION OF LSD AND LSD METABOLITES MICROGENICS CORPORATION (US) 1999-08-26 WO disclosed
US-5843682-A N-1-carboxyalkyl derivatives of LSD BOEHRINGER MANNHEIM CORPORATION (US) 1998-12-01 US disclosed
EP-0880029-A1 Immunoassay for glucuronide metabolites of LSD BOEHRINGER MANNHEIM CORPORATION (US) 1998-11-25 EP disclosed
EP-0830370-A1 N-1-CARBOXYALKYL DERIVATIVES OF LSD BOEHRINGER MANNHEIM CORPORATION (US) 1998-03-25 EP disclosed
EP-0830370-A4 1998-03-25 EP disclosed
WO-1997019100-A1 N-1-CARBOXYALKYL DERIVATIVES OF LSD BOEHRINGER MANNHEIM CORPORATION (US) 1997-05-29 WO disclosed
US-5525474-A IMMUNOASSAY; LINKING THE HAPTENIC DRUG VIA ITS MALEIMIDE MOIETY AND A SULFHYDRYL BRIDGE TO AN IMMUNOGENIC CARRIER TO STIMULATE ANTIBODIES BOEHRINGER MANNHEIM CORPORATION (US) 1996-06-11 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-20080139788-A1 ACRIDONE DERIVATIVES AS LABELS FOR FLUORESCENCE DETECTION OF TARGET MATERIALS ACR, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ARSA HSP90AA1 4159/4885MGLL 2996/4885GSK3A 4507/4885
US-20040191792-A1 Acridone derivatives as labels for fluorescence detection of target materials ACR, ARSA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HSP90AA1 3717/4885MGLL 2671/4885GSK3A 3996/4885
US-20060035297-A1 Reagents and methods for mycophenolic acid immunoassay CYP3A5, TPMT, CYP2A6 HSP90AA1 2303/4885MGLL 3754/4885GSK3A 3414/4885

“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.