Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7640824

Cl.NCc1cccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.57

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
GSTP1 known ✓ P09211 1/20 0.36
FTO Q9C0B1 10/20 0.57
MAPT P10636 3/20 0.57
HPGD P15428 2/20 0.57
MEN1 O00255 2/20 0.57
HTT P42858 2/20 0.57
KMT2A Q03164 2/20 0.57
CYP2C19 P33261 1/20 0.57
RECQL P46063 1/20 0.57
BLM P54132 1/20 0.57
SMAD3 P84022 1/20 0.57
PRMT1 Q99873 1/20 0.57
ACE2 Q9BYF1 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 2/20 0.55
ALOX12 P18054 2/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX15 P16050 1/20 0.55
BRCA1 P38398 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL84112 0.99 FTO (0.59) FTOMAPTHPGDMEN1HTT
SCHEMBL7647553 0.89 FTO (0.56) FTOMAPTHPGDMEN1HTT
SCHEMBL2314510 0.88 FTO (0.60) FTOMAPTHPGDMEN1HTT
SCHEMBL4743773 0.88 FTO (0.60) FTOMAPTHPGDMEN1HTT
SCHEMBL2184643 0.86 FTO (0.59) FTOMAPTHPGDMEN1HTT
SCHEMBL336896 0.86 FTO (0.59) FTOMAPTHPGDMEN1HTT
Hydrochloric Acid SCHEMBL9054629 0.85 FTO (0.49) FTOMAPTHPGDMEN1HTT
SCHEMBL22110384 0.84 FTO (0.56) FTOMAPTHPGDMEN1HTT
SCHEMBL4825622 0.84 FTO (0.56) FTOMAPTHPGDMEN1HTT
SCHEMBL1115891 0.84 HPGD (0.57) FTOMAPTHPGDMEN1HTT

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
US-6472227-B1 A FLUORESCEIN MOIETY IS INCLUDED IN THE TRACER, WHILE A POLY(AMINO ACID) FORMS A PART OF THE IMMUNOGEN FOR DETERMINING THE AMOUNT OF BARBITURATE IN FLUIDS, ESPECIALLY BIOLOGICAL FLUIDS SUCH AS SERUM, PLASMA OR URINE ABBOTT LABORATORIES 2002-10-29 US disclosed
EP-0641440-B1 REAGENTS AND METHODS FOR THE QUANTIFICATION OF TOTAL DOXEPINS IN BIOLOGICAL FLUIDS ABBOTT LAB (US) 2000-11-08 EP disclosed
EP-0599935-B1 REAGENTS AND METHODS FOR THE QUANTIFICATION OF AMITRIPTYLINE OR NORTRIPTYLINE IN BIOLOGICAL FLUIDS ABBOTT LAB (US) 2000-09-13 EP disclosed
EP-0876616-A2 REAGENTS FOR MEASURING LEAD LEVELS VIA THE QUANTIFICATION OF PORPHOBILINOGEN Abbott Laboratories (US) 1998-11-11 EP disclosed
EP-0875762-A2 Immunogens for raising antibodies useful in methadone fluorescence polarization immunoassay Abbott Laboratories (US) 1998-11-04 EP disclosed
US-5750413-A FLUORESCENT MARKERS FOR CYCLOSPORINS ABBOTT LABORATORIES 1998-05-12 US disclosed
EP-0457213-B1 Barbiturate assay, tracers, immunogens, antibodies and kit ABBOTT LAB (US) 1997-07-23 EP disclosed
WO-1997024621-A2 REAGENTS FOR MEASURING LEAD LEVELS VIA THE QUANTIFICATION OF PORPHOBILINOGEN ABBOTT LABORATORIES (US) 1997-07-10 WO disclosed
US-5614419-A Reagents and methods for the quantification of amitriptyline or nortriptyline in biological fluids ABBOTT LABORATORIES (US) 1997-03-25 US disclosed
EP-0599935-A4 REAGENTS AND METHODS FOR THE QUANTIFICATION OF AMITRIPTYLINE OR NORTRIPTYLINE IN BIOLOGICAL FLUIDS. ABBOTT LAB (US) 1996-09-04 EP disclosed
EP-0473961-A2 Immunoassay reagents and method for determining cyclosporine ABBOTT LABORATORIES (US) 1992-03-11 EP disclosed
US-5073629-A Haptens attached to immunogenic carrier; quantitative analysis , drugs testing ABBOTT LABORATORIES (US) 1991-12-17 US disclosed
EP-0457213-A2 Barbiturate assay, tracers, immunogens, antibodies and kit ABBOTT LABORATORIES (US) 1991-11-21 EP disclosed
EP-0430065-A2 Barbiturate assay compositions and methods ABBOTT LABORATORIES (US) 1991-06-05 EP disclosed
EP-0399184-A2 Reagents, methods and kits for an amphetamine-class fluorescence polarization immunoassay ABBOTT LABORATORIES (US) 1990-11-28 EP disclosed
EP-0380019-A2 Methadone fluorescence polarization immunoassay ABBOTT LABORATORIES (US) 1990-08-01 EP disclosed
EP-0312898-A2 Phenylacetylglutamine (pag) analytical test ABBOTT LABORATORIES (US) 1989-04-26 EP disclosed
EP-0283801-A2 Fluorescence polarization assay for cyclosporin A and metabolites and related immunogens and antibodies ABBOTT LABORATORIES (US) 1988-09-28 EP disclosed
EP-0252405-A2 3-methoxy-4-hydroxyphenylglycol fluorescence polarization immunoassay ABBOTT LABORATORIES (US) 1988-01-13 EP disclosed
EP-0201751-A2 4'-aminomethyfluorescein derivatives for use in fluorescence polarization immunoassys ABBOTT LABORATORIES (US) 1986-11-20 EP disclosed