Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2587719

CCN(CC)CC.Cl.O=S(=O)(C1CC1)N1CCNCC1

nearest known ligand 0.39

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
GABRA1 known ✓ P14867 1/20 0.34
GABRG2 known ✓ P18507 1/20 0.34
GABRB3 known ✓ P28472 1/20 0.34
GABRA5 known ✓ P31644 1/20 0.34
GABRA3 known ✓ P34903 1/20 0.34
GABRA2 known ✓ P47869 1/20 0.34
GABRA6 known ✓ Q16445 1/20 0.34
OPRD1 known ✓ P41143 1/20 0.30
KDM4E B2RXH2 1/20 0.36
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
NFKB1 P19838 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 1/20 0.32
GNAI3 P08754 6/20 0.32
GNAO1 P09471 6/20 0.32
GNAI1 P63096 6/20 0.32
POLB P06746 1/20 0.31
EPHX2 P34913 1/20 0.30

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 SCHEMBL189808 0.85 KDM4E (0.46) KDM4ELMNATSHRCYP3A4GABRA1
SCHEMBL9936711 0.83 KDM4E (0.48) KDM4ELMNATSHRCYP3A4GABRA1
SCHEMBL1161139 0.83 KDM4E (0.48) KDM4ELMNATSHRCYP3A4GABRA1
Hydrochloric Acid SCHEMBL13386352 0.78 KDM4E (0.50) KDM4ELMNATSHRCYP3A4GABRA1
Hydrochloric Acid SCHEMBL2588089 0.77 KDM4E (0.48) KDM4ELMNATSHRCYP3A4GABRA1
SCHEMBL20507730 0.76 KDM4E (0.52) KDM4ELMNATSHRCYP3A4GABRA1
Hydrochloric Acid SCHEMBL2250330 0.76 KDM4E (0.52) KDM4ELMNATSHRCYP3A4GABRA1
SCHEMBL25176113 0.75 KDM4E (0.50) KDM4ELMNATSHRCYP3A4GABRA1
SCHEMBL2328623 0.74 KDM4E (0.54) KDM4ELMNATSHRCYP3A4GABRA1
SCHEMBL28182194 0.74 KDM4E (0.54) KDM4ELMNATSHRCYP3A4GABRA1

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
CN-102958525-B Antiviral compounds 普罗瑟塔抗病毒股份有限公司 2017-05-24 CN disclosed
EP-2585073-B1 ANTIVIRAL COMPOUNDS PROSETTA ANTIVIRAL INC (US) 2016-04-27 EP disclosed
US-8785434-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-07-22 US disclosed
EP-2585073-A1 ANTIVIRAL COMPOUNDS Prostetta Antiviral Inc. (US) 2013-05-01 EP disclosed
CN-102958525-A Antiviral compounds PROSTETTA ANTIVIRAL INC 2013-03-06 CN disclosed
US-20120157435-A1 Antiviral Compounds PROSETTA ANTIVIRAL INC. (US) 2012-06-21 US disclosed
WO-2011137447-A1 ANTIVIRAL COMPOUNDS PROSTETTA ANTIVIRAL INC. (US) 2011-11-03 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 (1 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-20120157435-A1 Antiviral Compounds MAVS, ZC3HAV1, EIF2AK2 GABRA1 2007/4885GABRG2 2777/4885GABRB3 2612/4885

“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.