Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1277927

C=CCNC(=O)[C@@H](N)CC(C)C.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 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
SLC7A5 Q01650 1/20 0.44
ANPEP P15144 3/20 0.41
RNPEP Q9H4A4 2/20 0.41
DNPEP Q9ULA0 2/20 0.41
ALPL P05186 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
LARS1 Q9P2J5 1/20 0.39
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 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
SCHEMBL29414586 0.87 ATM (0.42) ATMSLC7A5ANPEPRNPEPDNPEP
SCHEMBL14420225 0.81 SLC7A5 (0.47) SLC7A5ANPEPRNPEPDNPEPAAK1
SCHEMBL7862636 0.81 SLC7A5 (0.47) SLC7A5ANPEPRNPEPDNPEPAAK1
Hydrochloric Acid SCHEMBL19136882 0.81 HPGD (0.44) ATMALPLHPGDHSD17B10POLB
Hydrochloric Acid SCHEMBL19136884 0.81 HPGD (0.44) ATMALPLHPGDHSD17B10POLB
SCHEMBL12344727 0.79
SCHEMBL19198544 0.79
Hydrochloric Acid SCHEMBL8624053 0.79 SLC7A5 (0.52) SLC7A5ANPEPRNPEPDNPEPHPGD
SCHEMBL19170300 0.79
Hydrochloric Acid SCHEMBL8624056 0.79 SLC7A5 (0.52) SLC7A5ANPEPRNPEPDNPEPHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088848-A1 METHODS AND COMPOSITIONS FOR CONTROLLED POLYPEPTIDE SYNTHESIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-04-12 US disclosed
US-7968519-B2 Amido-containing metal complexes; sonication; for self-assembling polypeptides; vesicles THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-28 US disclosed
US-20080125581-A1 Methods and compositions for controlled polypeptide synthesis NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2008-05-29 US disclosed
US-7329727-B2 Methods and compositions for controlled polypeptide synthesis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-02-12 US disclosed
US-20040132958-A1 Combining alpha -amino acid-N-carboxyanhydride monomer with an initiator molecule comprising an amido-containing metallacycle for initiating polymerization NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2004-07-08 US disclosed
US-6686446-B2 INITIATING THE POLYMERIZATION OF AMINOACID-N-CARBOXYANHYDRIDE (NCA) MONOMER BY COMBINING THE MONOMER WITH AN AMIDO-CONTAINING METALLACYCLE, FOR MAKING SELF ASSEMBLING AMPHIPHILIC BLOCK COPOLYPEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-02-03 US disclosed
US-6632922-B1 Mixing allyloxycarbonyl-amino acid amide and transition metal-Lewis base ligand; complexing, cyclization, metallization THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-10-14 US disclosed
US-20020032309-A1 Methods and compositions for controlled polypeptide synthesis NATIONAL SCIENCE FOUNDATION 2002-03-14 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-20120088848-A1 METHODS AND COMPOSITIONS FOR CONTROLLED POLYPEPTIDE SYNTHESIS NGLY1, LNPEP, NPPA ATM 3872/4885SLC7A5 150/4885ANPEP 4/4885
US-20080125581-A1 Methods and compositions for controlled polypeptide synthesis NGLY1, LNPEP, NPPA ATM 3872/4885SLC7A5 150/4885ANPEP 4/4885
US-20020032309-A1 Methods and compositions for controlled polypeptide synthesis NGLY1, LNPEP, NPPA ATM 3872/4885SLC7A5 150/4885ANPEP 4/4885

“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.