Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3077705

C[C@@](C(=O)O)(c1ccccc1Cl)N1CCc2sccc2C1.Cl

nearest known ligand 0.46

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
DRD1 known ✓ P21728 4/20 0.46
ADRA2A known ✓ P08913 2/20 0.46
OPRM1 known ✓ P35372 2/20 0.46
OPRK1 known ✓ P41145 2/20 0.46
HTR2B known ✓ P41595 2/20 0.46
KCNH2 known ✓ Q12809 2/20 0.46
CHRM2 known ✓ P08172 1/20 0.46
HTR2A known ✓ P28223 1/20 0.46
SLC6A4 known ✓ P31645 1/20 0.46
P2RY12 known ✓ Q9H244 1/20 0.46
DRD4 known ✓ P21917 2/20 0.44
DRD3 known ✓ P35462 2/20 0.44
ADRB3 known ✓ P13945 1/20 0.44
ADRA2B known ✓ P18089 1/20 0.44
ADRA2C known ✓ P18825 1/20 0.44
HRH2 known ✓ P25021 1/20 0.44
ADRA1A known ✓ P35348 1/20 0.44
SIGMAR1 known ✓ Q99720 1/20 0.44
KCNQ2 known ✓ O43526 1/20 0.36
HSP90AA1 known ✓ P07900 3/20 0.36

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 SCHEMBL3077710 1.00 DRD1 (0.46) DRD1ABCB11CYP2C19ADRA2ACYP2B6
Hydrochloric Acid SCHEMBL6615615 0.99 DRD1 (0.45) DRD1ABCB11CYP2C19ADRA2ACYP2B6
SCHEMBL1269320 0.99 DRD1 (0.47) DRD1ABCB11CYP2C19ADRA2ACYP2B6
SCHEMBL954553 0.99 DRD1 (0.47) DRD1ABCB11CYP2C19ADRA2ACYP2B6
Bromide SCHEMBL2087060 0.98 DRD1 (0.46) DRD1ABCB11CYP2C19ADRA2ACYP2B6
Sulfuric Acid SCHEMBL6363639 0.95 ABCB11 (0.50) DRD1ABCB11CYP2C19ADRA2ACYP2B6
Sulfuric Acid SCHEMBL951856 0.95 ABCB11 (0.50) DRD1ABCB11CYP2C19ADRA2ACYP2B6
Sulfuric Acid SCHEMBL6363645 0.93 ABCB11 (0.48) DRD1ABCB11CYP2C19ADRA2ACYP2B6
Sulfuric Acid SCHEMBL6375982 0.93 ABCB11 (0.48) DRD1ABCB11CYP2C19ADRA2ACYP2B6
SCHEMBL5024497 0.87 ABCB11 (0.42) DRD1ABCB11CYP2C19ADRA2ACYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113406-A1 Polymorphs of clopidogrel hydrochloride and their use as antithrombic compounds EGIS GYOGYSZERGYAR RT. (HU) 2005-05-26 US claimed
EP-1474427-A1 POLYMORPHS OF CLOPIDOGREL HYDROCHLORIDE AND THEIR USE AS ANTITHROMBIC COMPOUNDS EGIS GYOGYSZERGYAR (HU) 2004-11-10 EP claimed
WO-2003066637-A1 POLYMORPHS OF CLOPIDOGREL HYDROCHLORIDE AND THEIR USE AS ANTITHROMBIC COMPOUNDS EGIS Gyógyszergyár Rt. (HU) 2003-08-14 WO claimed
US-20100227882-A1 CLOPIDOGREL SALT AND POLYMORPHIC FORMS THEREOF SANOFI-AVENTIS (FR) 2010-09-09 US disclosed
US-20050113406-A1 Polymorphs of clopidogrel hydrochloride and their use as antithrombic compounds EGIS GYOGYSZERGYAR RT. (HU) 2005-05-26 US disclosed
US-20050113406-A1 Polymorphs of clopidogrel hydrochloride and their use as antithrombic compounds EGIS GYOGYSZERGYAR RT. (HU) 2005-05-26 US disclosed
EP-1474427-A1 POLYMORPHS OF CLOPIDOGREL HYDROCHLORIDE AND THEIR USE AS ANTITHROMBIC COMPOUNDS EGIS GYOGYSZERGYAR (HU) 2004-11-10 EP disclosed
WO-2003066637-A1 POLYMORPHS OF CLOPIDOGREL HYDROCHLORIDE AND THEIR USE AS ANTITHROMBIC COMPOUNDS EGIS Gyógyszergyár Rt. (HU) 2003-08-14 WO disclosed
WO-2003066637-A1 POLYMORPHS OF CLOPIDOGREL HYDROCHLORIDE AND THEIR USE AS ANTITHROMBIC COMPOUNDS EGIS Gyógyszergyár Rt. (HU) 2003-08-14 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 (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-20050113406-A1 Polymorphs of clopidogrel hydrochloride and their use as antithrombic compounds PLAT, PFKP, P2RY6 DRD1 3227/4885ADRA2A 287/4885OPRM1 1846/4885
US-20100227882-A1 CLOPIDOGREL SALT AND POLYMORPHIC FORMS THEREOF P2RY13, P2RY12, P2RY11 DRD1 2078/4885ADRA2A 865/4885OPRM1 3463/4885

“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.