Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6739306

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

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
PTGS1 known ✓ P23219 1/20 0.47
ACE known ✓ P12821 2/20 0.38
GABRP known ✓ O00591 2/20 0.34
GABRD known ✓ O14764 2/20 0.34
GABRA1 known ✓ P14867 2/20 0.34
GABRB1 known ✓ P18505 2/20 0.34
GABRG2 known ✓ P18507 2/20 0.34
GABRB3 known ✓ P28472 2/20 0.34
GABRA5 known ✓ P31644 2/20 0.34
GABRA3 known ✓ P34903 2/20 0.34
GABRA2 known ✓ P47869 2/20 0.34
GABRB2 known ✓ P47870 2/20 0.34
GABRA4 known ✓ P48169 2/20 0.34
GABRE known ✓ P78334 2/20 0.34
GABRA6 known ✓ Q16445 2/20 0.34
GABRG1 known ✓ Q8N1C3 2/20 0.34
GABRG3 known ✓ Q99928 2/20 0.34
GABRQ known ✓ Q9UN88 2/20 0.34
ITGB3 known ✓ P05106 1/20 0.33
ALDH1A1 P00352 1/20 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
SCHEMBL6738103 0.98 ALDH1A1 (0.48) ALDH1A1MAPTPTGS1ECE1ACE
Hydrochloric Acid SCHEMBL7753276 0.82 ALDH1A1 (0.50) ALDH1A1MAPTPTGS1ECE1ACE
Hydrochloric Acid SCHEMBL6741437 0.82 ALDH1A1 (0.50) ALDH1A1MAPTPTGS1ECE1ACE
SCHEMBL6734271 0.80 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1ECE1ACE
SCHEMBL18629893 0.80 PTGS1 (0.47) ALDH1A1MAPTPTGS1
SCHEMBL7756796 0.80 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1ECE1ACE
SCHEMBL14755648 0.79 PTGS1 (0.45) ALDH1A1MAPTPTGS1
SCHEMBL14752342 0.77 ANPEP (0.51) ALDH1A1MAPTPTGS1
SCHEMBL12908822 0.76 ALDH1A1 (0.50) ALDH1A1MAPTPTGS1
SCHEMBL9330023 0.74 ADRA1A (0.43) PTGS1ECE1

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-20010041789-A1 N-terminal D(-)-penicillamine peptides as aldehyde sequestration agents FEDERAL GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2001-11-15 US claimed
WO-2001058928-A1 N-TERMINAL D(-)-PENICILLAMINE PEPTIDES AS ALDEHYDE SEQUESTRATION AGENTS NAGASAWA HERBERT T (US) 2001-08-16 WO claimed
US-6686336-B2 ALCOHOLISM THERAPY FEDERAL GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRES 2004-02-03 US disclosed
US-20010041789-A1 N-terminal D(-)-penicillamine peptides as aldehyde sequestration agents FEDERAL GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2001-11-15 US disclosed
WO-2001058928-A1 N-TERMINAL D(-)-PENICILLAMINE PEPTIDES AS ALDEHYDE SEQUESTRATION AGENTS NAGASAWA HERBERT T (US) 2001-08-16 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-20010041789-A1 N-terminal D(-)-penicillamine peptides as aldehyde sequestration agents ADH1C, ADH1A, ADH5 PTGS1 907/4885ACE 1931/4885GABRP 1042/4885

“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.