Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3044191

Cl.Cl.Cn1/c(=N\N)sc2ccccc21.O

nearest known ligand 0.60

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 2/20 0.60
MAPT P10636 9/20 0.60
ALDH1A1 P00352 7/20 0.58
KMT2A Q03164 7/20 0.58
MEN1 O00255 4/20 0.58
ATM Q13315 1/20 0.58
NPC1 O15118 11/20 0.51
RAB9A P51151 11/20 0.51
SMN1; SMN2 Q16637 9/20 0.51
NPSR1 Q6W5P4 4/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
NSD2 O96028 1/20 0.51
MCL1 Q07820 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
F12 P00748 1/20 0.50
KDM4E B2RXH2 3/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47

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 SCHEMBL14142091 1.00 MAPT (0.60) MAPTGAAALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL3044196 1.00 MAPT (0.60) MAPTGAAALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL2813839 1.00 MAPT (0.60) MAPTGAAALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL2813841 1.00 MAPT (0.60) MAPTGAAALDH1A1KMT2AMEN1
Water SCHEMBL11378787 0.98 MAPT (0.62) MAPTGAAALDH1A1KMT2AMEN1
Water SCHEMBL11378791 0.98 MAPT (0.62) MAPTGAAALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL30738267 0.98 MAPT (0.62) MAPTGAAALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL691148 0.98 MAPT (0.62) MAPTGAAALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL691147 0.98 MAPT (0.62) MAPTGAAALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL30073092 0.98 MAPT (0.62) MAPTGAAALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140205583-A1 USE OF PLP WITH PEG-rMETase IN VIVO FOR ENHANCED EFFICACY ANTICANCER, INC. (US) 2014-07-24 US disclosed
US-20100260757-A1 USE OF PLP WITH PEG-rMETase IN VIVO FOR ENHANCED EFFICACY YAGI SHIGEO 2010-10-14 US disclosed
EP-1664326-A2 THE USE OF PLP WITH PEG-RMETASE IN VIVO FOR ENHANCED EFFICACY ANTICANCER, INC. (US) 2006-06-07 EP disclosed
WO-2005045055-A2 THE USE OF PLP WITH PEG-RMETASE IN VIVO FOR ENHANCED EFFICACY ANTICANCER, INC. (US) 2005-05-19 WO disclosed
US-20050036981-A1 Pyridoxal 5' phosphate (PLP) dependent enzymes, recombinant methioninase (rMETase), extend serum half-life, extend in vivo period of methionine depletion in host, and decrease immunogenicity; cancer ANTICANCER, INC. 2005-02-17 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 (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-20140205583-A1 USE OF PLP WITH PEG-rMETase IN VIVO FOR ENHANCED EFFICACY PLPBP, PNPO, MTR GAA 508/4885MAPT 2673/4885ALDH1A1 1739/4885
US-20100260757-A1 USE OF PLP WITH PEG-rMETase IN VIVO FOR ENHANCED EFFICACY PLPBP, PNPO, MTR GAA 508/4885MAPT 2673/4885ALDH1A1 1739/4885
US-20050036981-A1 Pyridoxal 5' phosphate (PLP) dependent enzymes, recombinant methioninase (rMETase), extend serum half-life, extend in vivo period of methionine depletion in host, and decrease immunogenicity; cancer PLPBP, PNPO, MTR GAA 1859/4885MAPT 3394/4885ALDH1A1 1988/4885

“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.