Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6848635

CNCC(O)c1cccc(OC)c1.Cl

nearest known ligand 0.72

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 0.64
ADRB2 known ✓ P07550 3/20 0.61
ADRB1 known ✓ P08588 2/20 0.61
ADRA2A known ✓ P08913 2/20 0.61
ADRB3 known ✓ P13945 2/20 0.61
ADRA2B known ✓ P18089 2/20 0.61
ADRA2C known ✓ P18825 2/20 0.61
DRD1 known ✓ P21728 2/20 0.61
ADRA1A known ✓ P35348 2/20 0.61
ADRA1B known ✓ P35368 2/20 0.61
DRD3 known ✓ P35462 2/20 0.61
HTR1A known ✓ P08908 1/20 0.61
HTR7 known ✓ P34969 1/20 0.61
SLC6A3 known ✓ Q01959 1/20 0.61
SLC6A2 known ✓ P23975 2/20 0.53
SLC6A4 known ✓ P31645 2/20 0.53
CHRM2 known ✓ P08172 1/20 0.52
CHRM1 known ✓ P11229 1/20 0.52
CHRM3 known ✓ P20309 1/20 0.52
DRD2 known ✓ P14416 1/20 0.50

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
SCHEMBL22953181 0.98 AOC3 (0.74) AOC3KDM4EHIF1ABLMLMNA
SCHEMBL3443108 0.98 AOC3 (0.74) AOC3KDM4EHIF1ABLMLMNA
Hydrochloric Acid SCHEMBL11418040 0.84 HIF1A (0.60) AOC3KDM4EHIF1ABLMLMNA
SCHEMBL3070382 0.83 HIF1A (0.56) AOC3KDM4EHIF1ABLMLMNA
SCHEMBL25101091 0.83 HTT (0.61) AOC3KDM4EHIF1ABLMLMNA
SCHEMBL19407140 0.83 AOC3 (0.61) AOC3KDM4EL3MBTL1SLC6A2SLC6A4
SCHEMBL11201986 0.83 HIF1A (0.59) AOC3KDM4EHIF1ABLMLMNA
SCHEMBL7628013 0.83 HIF1A (0.59) AOC3KDM4EHIF1ABLMLMNA
SCHEMBL15161591 0.81 AOC3 (0.68) AOC3KDM4EHIF1ALMNAADRB2
SCHEMBL12186405 0.81 AOC3 (0.68) AOC3KDM4EHIF1ALMNAADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106654-A1 Inhibitors of copper-containing amine oxidases SMITH DAVID JOHN (FI) 2004-06-03 US disclosed
CN-1450998-A Inhibitors of copper-containing amine oxidases BIOTIE THERAPIES CORP (FI) 2003-10-22 CN disclosed
US-6624202-B2 Antiinflammatory agents; antiarthritic agents; skin disorders BIOTIE THERAPIES CORP. (FI) 2003-09-23 US disclosed
US-20020173521-A1 Inhibitors of copper-containing amine oxidases BIOTIE THERAPIES CORP. 2002-11-21 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 (2 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-20040106654-A1 Inhibitors of copper-containing amine oxidases VCAM1, AOC3, AOC2 GAA 851/4885ADRB2 727/4885ADRB1 220/4885
US-20020173521-A1 Inhibitors of copper-containing amine oxidases VCAM1, AOC3, AOC2 GAA 851/4885ADRB2 727/4885ADRB1 220/4885

“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.