Hydrochloric Acid

Hydrochloric Acid

SCHEMBL751303

Cl.Cl.NCCC[C@@H](O)[C@H](N)C(=O)O.O

nearest known ligand 0.47

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
GABRP known ✓ O00591 1/20 0.34
GABRD known ✓ O14764 1/20 0.34
HDAC3 known ✓ O15379 1/20 0.34
GABRA1 known ✓ P14867 1/20 0.34
GABRB1 known ✓ P18505 1/20 0.34
GABRG2 known ✓ P18507 1/20 0.34
GABRB3 known ✓ P28472 1/20 0.34
SLC6A1 known ✓ P30531 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
GABRB2 known ✓ P47870 1/20 0.34
GABRA4 known ✓ P48169 1/20 0.34
HDAC4 known ✓ P56524 1/20 0.34
GABRE known ✓ P78334 1/20 0.34
HDAC1 known ✓ Q13547 1/20 0.34
GABRA6 known ✓ Q16445 1/20 0.34
GABRG1 known ✓ Q8N1C3 1/20 0.34
HDAC7 known ✓ Q8WUI4 1/20 0.34
HDAC2 known ✓ Q92769 1/20 0.34

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 SCHEMBL7107024 1.00 GSR (0.47) GSRCPB2RNPEPUSP2SLCO1B1
Hydrochloric Acid SCHEMBL16760213 0.98 GSR (0.48) GSRCPB2RNPEPUSP2SLCO1B1
Hydrochloric Acid SCHEMBL16760214 0.98 GSR (0.48) GSRCPB2RNPEPUSP2SLCO1B1
SCHEMBL2824475 0.96 GSR (0.50) GSRCPB2RNPEPUSP2SLCO1B1
SCHEMBL358290 0.96 GSR (0.50) GSRCPB2RNPEPUSP2SLCO1B1
SCHEMBL3948254 0.96 GSR (0.50) GSRCPB2RNPEPUSP2SLCO1B1
SCHEMBL503258 0.96 GSR (0.50) GSRCPB2RNPEPUSP2SLCO1B1
SCHEMBL16732008 0.96 GSR (0.50) GSRCPB2RNPEPUSP2SLCO1B1
Hydrochloric Acid SCHEMBL16760318 0.85 USP2 (0.45) GSRCPB2RNPEPUSP2SLCO1B1
Hydrochloric Acid SCHEMBL16760319 0.85 USP2 (0.45) GSRCPB2RNPEPUSP2SLCO1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10828246-B2 Effective hair styling compositions and processes NUTECH VENTURES (US) 2020-11-10 US disclosed
US-20170095409-A1 EFFECTIVE HAIR STYLING COMPOSITIONS AND PROCESSES NUTECH VENTURES 2017-04-06 US disclosed
WO-2016161360-A1 EFFECTIVE HAIR STYLING COMPOSITIONS AND PROCESSES NUTECH VENTURES (US) 2016-10-06 WO disclosed
US-8729009-B2 Lysine compounds and their use in site- and chemoselective modification of peptides and proteins STICHTING HET NEDERLANDS KANKER INSTITUUT (NL) 2014-05-20 US disclosed
US-20130267680-A1 TOTAL CHEMICAL SYNTHESIS OF UBIQUITIN, UBIQUITIN MUTANTS AND DERIVATIVES THEREOF STICHTING HET NEDERLANDS KANKERINSTITUUT 2013-10-10 US disclosed
EP-2616479-A1 TOTAL CHEMICAL SYNTHESIS OF UBIQUITIN, UBIQUITIN MUTANTS AND DERIVATIVES THEREOF Stichting Het Nederlands Kanker Instituut (NL) 2013-07-24 EP disclosed
US-20120135913-A1 LYSINE COMPOUNDS AND THEIR USE IN SITE- AND CHEMOSELECTIVE MODIFICATION OF PEPTIDES AND PROTEINS STICHTING HET NEDERLANDS KANKER INSTITUUT (NL) 2012-05-31 US disclosed
WO-2012036551-A1 TOTAL CHEMICAL SYNTHESIS OF UBIQUITIN, UBIQUITIN MUTANTS AND DERIVATIVES THEREOF STICHTING HET NEDERLANDS KANKERINSTITUUT (NL) 2012-03-22 WO disclosed
EP-2429988-A2 LYSINE COMPOUNDS AND THEIR USE IN SITE- AND CHEMOSELECTIVE MODIFICATION OF PEPTIDES AND PROTEINS Stichting Het Nederlands Kanker Instituut (NL) 2012-03-21 EP disclosed
WO-2010131962-A2 LYSINE COMPOUNDS AND THEIR USE IN SITE- AND CHEMOSELECTIVE MODIFICATION OF PEPTIDES AND PROTEINS STICHTING HET NEDERLANDS KANKER INSTITUUT (NL) 2010-11-18 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 (4 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-20120135913-A1 LYSINE COMPOUNDS AND THEIR USE IN SITE- AND CHEMOSELECTIVE MODIFICATION OF PEPTIDES AND PROTEINS SCLY, PTMS, SRM GABRP 3939/4885GABRD 4818/4885HDAC3 3435/4885
US-20170095409-A1 EFFECTIVE HAIR STYLING COMPOSITIONS AND PROCESSES PIK3C3, PRKDC, SUCLG1 GABRP 4356/4885GABRD 4283/4885HDAC3 1902/4885
US-10828246-B2 Effective hair styling compositions and processes PIK3C3, PRKDC, SUCLG1 GABRP 4356/4885GABRD 4283/4885HDAC3 1902/4885
US-20130267680-A1 TOTAL CHEMICAL SYNTHESIS OF UBIQUITIN, UBIQUITIN MUTANTS AND DERIVATIVES THEREOF UBQLN1, UBQLN2, UBE3A GABRP 1461/4885GABRD 1678/4885HDAC3 4460/4885

“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.