Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8677972

Cl.O=c1oc(C=Cc2ccc(O)c(O)c2)cc(O)c1C(c1ncc[nH]1)c1c(O)cc(C=Cc2ccc(O)c(O)c2)oc1=O

nearest known ligand 0.45

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
MAOA known ✓ P21397 1/20 0.40
MAOB known ✓ P27338 1/20 0.40
LCK known ✓ P06239 3/20 0.36
GAA known ✓ P10253 2/20 0.35
TTR known ✓ P02766 2/20 0.34
HDAC6 known ✓ Q9UBN7 2/20 0.34
HDAC3 known ✓ O15379 1/20 0.34
CA2 known ✓ P00918 1/20 0.34
MMP1 known ✓ P03956 1/20 0.34
GLA known ✓ P06280 1/20 0.34
DPP4 known ✓ P27487 1/20 0.34
AGTR1 known ✓ P30556 1/20 0.34
HDAC4 known ✓ P56524 1/20 0.34
HDAC1 known ✓ Q13547 1/20 0.34
HDAC7 known ✓ Q8WUI4 1/20 0.34
HDAC2 known ✓ Q92769 1/20 0.34
HDAC10 known ✓ Q969S8 1/20 0.34
HDAC11 known ✓ Q96DB2 1/20 0.34
HDAC8 known ✓ Q9BY41 1/20 0.34
HDAC9 known ✓ Q9UKV0 1/20 0.34

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 SCHEMBL8676433 0.80 NQO1 (0.48) KDM4EMAPTHSD17B10HIF1AMAPK1
SCHEMBL8859412 0.79 KDM4E (0.48) KDM4EMAPTHSD17B10HIF1AMAPK1
SCHEMBL8675339 0.79 KDM4E (0.48) KDM4EMAPTHSD17B10HIF1AMAPK1
SCHEMBL8859595 0.78 KDM4E (0.55) KDM4EMAPTHSD17B10HIF1AMAPK1
SCHEMBL8859491 0.76 KDM4E (0.52) KDM4EMAPTHSD17B10HIF1AMAPK1
SCHEMBL8859593 0.76 MAPT (0.56) KDM4EMAPTHSD17B10HIF1AMAPK1
SCHEMBL8859472 0.74 MAPT (0.53) KDM4EMAPTHSD17B10HIF1AMAPK1
SCHEMBL8677990 0.73 KDM4E (0.51) KDM4EMAPTHSD17B10HIF1AMAPK1
SCHEMBL8859509 0.73 MAPT (0.48) KDM4EMAPTHSD17B10HIF1AMAPK1
SCHEMBL8677499 0.73 HIF1A (0.51) KDM4EMAPTHSD17B10HIF1AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5731344-A DIABETES, ATHEROSCLEROSIS, ARTERIOSCLEROSIS; INHIBITORS OF ADVANCED GLYCOSYLATION ENDPRODUCTS BOEHRINGER MANNHEIM GMBH (DE) 1998-03-24 US disclosed
EP-0720608-B1 NOVEL DIHISPIDINE DERIVATIVES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1997-07-09 EP disclosed