Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3315835

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

nearest known ligand 0.51

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 19)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 1/20 0.35
KIF11 P52732 5/20 0.41
NOS2 P35228 3/20 0.41
NOS1 P29475 2/20 0.41
NOS3 P29474 1/20 0.41
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
SLC1A1 P43005 1/20 0.39
ARG1 P05089 1/20 0.38
ARG2 P78540 1/20 0.38
SLC7A5 Q01650 1/20 0.38
GFPT1 Q06210 1/20 0.38
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
SLC7A11 Q9UPY5 1/20 0.35
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
GRM1 Q13255 1/20 0.35
GRM2 Q14416 1/20 0.35

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 SCHEMBL22290069 1.00 KIF11 (0.41) KIF11NOS2NOS1NOS3ALDH1A1
Hydrochloric Acid SCHEMBL21611699 1.00 KIF11 (0.41) KIF11NOS2NOS1NOS3ALDH1A1
Hydrochloric Acid SCHEMBL3315832 1.00 KIF11 (0.41) KIF11NOS2NOS1NOS3ALDH1A1
Cystine SCHEMBL25390642 1.00 KIF11 (0.41) KIF11NOS2NOS1NOS3ALDH1A1
Hydrochloric Acid SCHEMBL3315838 1.00 KIF11 (0.41) KIF11NOS2NOS1NOS3ALDH1A1
Cystine SCHEMBL25390646 1.00 KIF11 (0.41) KIF11NOS2NOS1NOS3ALDH1A1
Hydrochloric Acid SCHEMBL21611698 1.00 KIF11 (0.41) KIF11NOS2NOS1NOS3ALDH1A1
SCHEMBL12438522 0.98 KIF11 (0.42) KIF11NOS2NOS1NOS3SLC1A1
SCHEMBL12438514 0.98 KIF11 (0.42) KIF11NOS2NOS1NOS3SLC1A1
SCHEMBL1815741 0.98 KIF11 (0.42) KIF11NOS2NOS1NOS3SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103675066-B A kind of preparation of sulfhydrylation graphene modified electrode and trace heavy metal detection method thereof TIANJIN POLYTECHNIC UNIVERSITY (CN) 2016-05-04 CN claimed
CN-103675066-A Preparation of sulfydryl graphene modified electrode and trace heavy metal detection method thereof UNIV TIANJIN POLYTECHNIC 2014-03-26 CN claimed
CN-119504573-A Novel proline hydroxylase inhibitors, preparation method, composition and application thereof 杜心赟 2025-02-25 CN disclosed
CN-108912011-A Light arrangement material 罗立克科技股份公司 2018-11-30 CN disclosed
CN-101585849-B Linked disulfide group substituted deuteroporphyrin, metal complexes, preparation method and uses thereof UNIV NANJING SCIENCE & TECH 2011-07-20 CN disclosed
US-20100105028-A1 PROBE FOR DETECTING NUCLEIC ACIDS BAYER TECHNOLOGY SERVICES GMBH (DE) 2010-04-29 US disclosed
CN-101585849-A Linked disulfide group substituted deuteroporphyrin, metal complexes, preparation method and uses thereof UNIV NANJING SCIENCE & TECH (CN) 2009-11-25 CN disclosed
EP-1831246-B1 PROBE FOR DETECTING NUCLEIC ACIDS BAYER TECHNOLOGY SERVICES GMBH (DE) 2008-05-07 EP disclosed
EP-1831246-A2 PROBE FOR DETECTING NUCLEIC ACIDS Bayer Technology Services GmbH (DE) 2007-09-12 EP disclosed
WO-2006072368-A2 PROBE FOR DETECTING NUCLEIC ACIDS BAYER TECHNOLOGY SERVICES GMBH (DE) 2006-07-13 WO disclosed
US-20050014840-A1 Thiol sulfonamide metalloprotease inhibitors PHARMACIA CORPORATION 2005-01-20 US disclosed
US-6747027-B1 SELECTIVELY INHIBITS IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-13 OVER IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-1 PHARMACIA CORPORATION 2004-06-08 US disclosed
EP-0939629-A4 THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS MONSANTO CO (US) 2002-07-17 EP disclosed
US-6048852-A BACTERICIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-11 US disclosed
EP-0939629-A1 THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS MONSANTO COMPANY (US) 1999-09-08 EP disclosed
EP-0900197-A1 BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-03-10 EP disclosed
WO-1998003166-A1 THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS MONSANTO COMPANY (US) 1998-01-29 WO disclosed
WO-1997030027-A1 BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1997-08-21 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 (2 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-20100105028-A1 PROBE FOR DETECTING NUCLEIC ACIDS DNTT, DNA2, POLRMT PTGS1 4079/4885KIF11 2555/4885NOS2 3755/4885
US-20050014840-A1 Thiol sulfonamide metalloprotease inhibitors MMP12, MMP13, MMP3 PTGS1 118/4885KIF11 2718/4885NOS2 932/4885

“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.