Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7640182

CC(C1C=Cc2ccccc21)C1C=Cc2ccccc21.Cl.Cl.[Zr]

nearest known ligand 0.36

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
SIGMAR1 known ✓ Q99720 6/20 0.36
HTR2A known ✓ P28223 2/20 0.35
HTR6 known ✓ P50406 1/20 0.35
CHRM2 known ✓ P08172 1/20 0.33
CHRM1 known ✓ P11229 1/20 0.33
DRD2 known ✓ P14416 1/20 0.33
ADRA2B known ✓ P18089 1/20 0.33
ADRA2C known ✓ P18825 1/20 0.33
CHRM3 known ✓ P20309 1/20 0.33
SLC6A2 known ✓ P23975 1/20 0.33
HTR2C known ✓ P28335 1/20 0.33
ADRA1A known ✓ P35348 1/20 0.33
HRH1 known ✓ P35367 1/20 0.33
DRD3 known ✓ P35462 1/20 0.33
OPRK1 known ✓ P41145 1/20 0.33
HTR2B known ✓ P41595 1/20 0.33
CACNA1B known ✓ Q00975 1/20 0.33
SLC6A3 known ✓ Q01959 1/20 0.33
KCNH2 known ✓ Q12809 1/20 0.33
RET known ✓ P07949 1/20 0.33

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
SCHEMBL6904952 0.98 SIGMAR1 (0.37) SIGMAR1HTR2AKDM4EHTR6MEN1
SCHEMBL29603716 0.96 SIGMAR1 (0.38) SIGMAR1HTR2AKDM4EHTR6MEN1
SCHEMBL668104 0.96 SIGMAR1 (0.38) SIGMAR1HTR2AKDM4EHTR6MEN1
SCHEMBL8770693 0.94 SIGMAR1 (0.37) SIGMAR1HTR2AKDM4EHTR6MEN1
SCHEMBL9144863 0.94 SIGMAR1 (0.37) SIGMAR1HTR2AKDM4EHTR6MEN1
Lithium SCHEMBL8770699 0.94 SIGMAR1 (0.37) SIGMAR1HTR2AKDM4EHTR6MEN1
SCHEMBL9144870 0.94 SIGMAR1 (0.37) SIGMAR1HTR2AKDM4EHTR6MEN1
Hydrochloric Acid SCHEMBL7899361 0.92 SIGMAR1 (0.36) SIGMAR1HTR2AKDM4EHTR6MEN1
Hydrochloric Acid SCHEMBL6904140 0.92 SIGMAR1 (0.36) SIGMAR1HTR2AKDM4EHTR6MEN1
SCHEMBL7711844 0.90 SIGMAR1 (0.35) SIGMAR1HTR2AKDM4EHTR6MEN1

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-20020115801-A1 Process for preparing and using meso/racemic-[bis (indenyl) ethane] zirconium dichloride compounds RAZAVI ABBAS (BE) 2002-08-22 US disclosed
US-6103656-A Process for preparing and using meso/racemic-[bis (indenyl) ethane]zirconium dichloride compounds FINA RESEARCH, S.A. (BE) 2000-08-15 US disclosed