Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5526299

Cl.N=C(N)c1ccc(OCCCCCCCCC(=O)O)cc1

nearest known ligand 0.76

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
CHRM2 known ✓ P08172 1/20 0.73
CHRM4 known ✓ P08173 1/20 0.73
CHRM5 known ✓ P08912 1/20 0.73
ADRA2A known ✓ P08913 1/20 0.73
MAOA known ✓ P21397 1/20 0.73
DRD1 known ✓ P21728 1/20 0.73
ACHE known ✓ P22303 1/20 0.73
SLC6A2 known ✓ P23975 1/20 0.73
HTR2A known ✓ P28223 1/20 0.73
HTR2C known ✓ P28335 1/20 0.73
SLC6A4 known ✓ P31645 1/20 0.73
ADRA1A known ✓ P35348 1/20 0.73
OPRM1 known ✓ P35372 1/20 0.73
DRD3 known ✓ P35462 1/20 0.73
SLC6A3 known ✓ Q01959 1/20 0.73
GRIN1 known ✓ Q05586 1/20 0.73
KCNH2 known ✓ Q12809 1/20 0.73
GRIN2A known ✓ Q12879 1/20 0.73
HRH3 known ✓ Q9Y5N1 1/20 0.73
ITGB3 known ✓ P05106 1/20 0.66

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
SCHEMBL14599520 0.98 PRMT1 (0.75) PRSS1PRMT1F2ST14TMPRSS2
SCHEMBL5522432 0.98 PRMT1 (0.75) PRSS1PRMT1F2ST14TMPRSS2
Pentamidine SCHEMBL21462087 0.98 PRMT1 (0.75) PRSS1PRMT1F2ST14TMPRSS2
SCHEMBL7748746 0.97 PRSS1 (0.74) PRSS1PRMT1F2ST14TMPRSS2
Hydrochloric Acid SCHEMBL8409943 0.96 PRSS1 (0.69) PRSS1PRMT1F2ST14TMPRSS2
Pentamidine SCHEMBL27820863 0.94 PRMT1 (0.77) PRSS1PRMT1F2ST14TMPRSS2
SCHEMBL8407255 0.93 PRSS1 (0.68) PRSS1PRMT1F2ST14TMPRSS2
SCHEMBL7748657 0.92 PRSS1 (0.71) PRSS1PRMT1F2ST14TMPRSS2
Hydrochloric Acid SCHEMBL1714047 0.92 ITGB3 (0.68) PRSS1PRMT1F2ST14TMPRSS2
SCHEMBL12461746 0.90 ITGB3 (0.70) PRSS1PRMT1F2ST14TMPRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021483-A1 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-01-25 US disclosed
EP-1572129-A2 AMIDINE DERIVATIVES FOR TREATING AMYLOIDOSIS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-09-14 EP disclosed
US-20040147531-A1 Amidine derivatives for treating amyloidosis NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2004-07-29 US disclosed
EP-1420773-A1 AMIDINE DERIVATIVES FOR TREATING AMYLOIDOSIS Neurochem (International) Limited (CH) 2004-05-26 EP disclosed
US-20040006092-A1 Amidine derivatives for treating amyloidosis NEUROCHEM, INC. (CA) 2004-01-08 US disclosed
WO-2003103598-A2 AMIDINE DERIVATIVES FOR TREATING AMYLOIDOSIS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2003-12-18 WO disclosed
WO-2003017994-A1 AMIDINE DERIVATIVES FOR TREATING AMYLOIDOSIS NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2003-03-06 WO 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-20040147531-A1 Amidine derivatives for treating amyloidosis APP, IAPP, HTT CHRM2 1917/4885CHRM4 3191/4885CHRM5 1776/4885
US-20040006092-A1 Amidine derivatives for treating amyloidosis APP, IAPP, HTT CHRM2 1917/4885CHRM4 3191/4885CHRM5 1776/4885
US-20070021483-A1 Amidine derivatives for treating amyloidosis APP, IAPP, GRN CHRM2 1939/4885CHRM4 3131/4885CHRM5 1673/4885

“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.