Hydrochloric Acid

Hydrochloric Acid

SCHEMBL587916

CC(C)(C)OC(=O)C(N)CCCCCN.Cl

nearest known ligand 0.48

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 12)

geneUniProtsupporting neighboursconfidence
DPP4 known ✓ P27487 1/20 0.36
GSR P00390 1/20 0.48
CPB2 Q96IY4 6/20 0.45
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 1/20 0.43
TLR2 O60603 2/20 0.39
DPP7 Q9UHL4 5/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
LTA4H P09960 1/20 0.36
NOS1 P29475 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
SCHEMBL1323618 0.98 GSR (0.50) GSRCPB2GNAI3GNAO1GNAI1
SCHEMBL1308683 0.98 GSR (0.50) GSRCPB2GNAI3GNAO1GNAI1
SCHEMBL1310240 0.98 GSR (0.50) GSRCPB2GNAI3GNAO1GNAI1
SCHEMBL1309368 0.98 GSR (0.50) GSRCPB2GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL3088557 0.98 GSR (0.50) GSRCPB2GNAI3GNAO1GNAI1
SCHEMBL1309450 0.98 GSR (0.50) GSRCPB2GNAI3GNAO1GNAI1
SCHEMBL1308718 0.98 GSR (0.50) GSRCPB2GNAI3GNAO1GNAI1
SCHEMBL2131918 0.98 GSR (0.50) GSRCPB2GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL3088558 0.98 GSR (0.50) GSRCPB2GNAI3GNAO1GNAI1
SCHEMBL855342 0.96 GSR (0.52) GSRCPB2GNAI3GNAO1GNAI1

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118348134-A Reagents and methods for screening MPS I, II, IIIA, IIIB, IVA, VI and VII 华盛顿大学商业中心 2024-07-16 CN disclosed
CN-112986429-B Reagents and methods for screening MPS I, II, IIIA, IIIB, IVA, VI and VII 华盛顿大学商业中心 2024-03-29 CN disclosed
US-11618764-B2 Reagents and methods for screening MPS I, II, IIIA, IIIB, IVA, VI, and VII UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2023-04-04 US disclosed
CN-110542728-B Reagents and methods for screening MPS I, II, IIIA, IIIB, IVA, VI and VII 华盛顿大学商业中心 2022-05-24 CN disclosed
EP-3192529-B1 AMATOXIN-ARMED THERAPEUTIC CELL SURFACE BINDING COMPONENTS DESIGNED FOR TUMOUR THERAPY FAULSTICH HEINZ DR (DE) 2020-03-25 EP disclosed
EP-3485912-A1 AMATOXIN-ARMED THERAPEUTIC CELL SURFACE BINDING COMPONENTS DESIGNED FOR TUMOUR THERAPY Faulstich, Heinz, Dr. (DE) 2019-05-22 EP disclosed
US-20190144916-A1 REAGENTS AND METHODS FOR SCREENING MPS I, II, IIIA, IIIB, IVA, VI, AND VII UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2019-05-16 US disclosed
US-10196668-B2 Reagents and methods for screening MPS I, II, IIIA, IIIB, IVA, VI, and VII UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2019-02-05 US disclosed
EP-3192529-A1 AMATOXIN-ARMED THERAPEUTIC CELL SURFACE BINDING COMPONENTS DESIGNED FOR TUMOUR THERAPY Faulstich, Heinz, Dr. (DE) 2017-07-19 EP disclosed
EP-2416804-B1 AMATOXIN-ARMED THERAPEUTIC CELL SURFACE BINDING COMPONENTS DESIGNED FOR TUMOUR THERAPY FAULSTICH HEINZ DR (DE) 2017-03-01 EP disclosed
EP-0738144-A1 PHENYLMETHYL HEXANAMIDES, AND THE USE THEREOF SMITHKLINE BEECHAM CORPORATION (US) 1996-10-23 EP disclosed
EP-0498801-A4 SOLID SURFACE FOR PEPTIDE SYNTHESIS 1993-03-31 EP disclosed
US-5162307-A Treatment of emphysema BOARD OF TRUSTEES OF THE UNIVERSITY OF KENTUCKY (US) 1992-11-10 US disclosed
EP-0498801-A1 SOLID SURFACE FOR PEPTIDE SYNTHESIS CHIRON MIMOTOPES PTY. LTD. (AU) 1992-08-19 EP disclosed
EP-0396709-A4 HUMAN LEUKOCYTE ELASTASE INHIBITORS AND METHODS OF PRODUCING AND USING SAME 1991-05-22 EP disclosed
WO-1991004266-A1 SOLID SURFACE FOR PEPTIDE SYNTHESIS COSELCO MIMOTOPES PTY LTD. (AU) 1991-04-04 WO disclosed
EP-0396709-A1 HUMAN LEUKOCYTE ELASTASE INHIBITORS AND METHODS OF PRODUCING AND USING SAME UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 1990-11-14 EP disclosed
EP-0368449-A2 Elastase inhibiting polymers and methods to produce them Digenis, George Alexander (US) 1990-05-16 EP disclosed
EP-0367514-A2 Human leukocyte elastase inhibitors and methods for producing and using same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 1990-05-09 EP disclosed
WO-1990004409-A1 HUMAN LEUKOCYTE ELASTASE INHIBITORS AND METHODS OF PRODUCING AND USING SAME UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 1990-05-03 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 (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-20190144916-A1 REAGENTS AND METHODS FOR SCREENING MPS I, II, IIIA, IIIB, IVA, VI, AND VII GAA, MAN2B1, CLN6 DPP4 553/4885GSR 2894/4885CPB2 128/4885
US-10196668-B2 Reagents and methods for screening MPS I, II, IIIA, IIIB, IVA, VI, and VII GAA, GBA1, MAN2B1 DPP4 631/4885GSR 3793/4885CPB2 150/4885
US-11618764-B2 Reagents and methods for screening MPS I, II, IIIA, IIIB, IVA, VI, and VII GAA, MAN2B1, CLN6 DPP4 553/4885GSR 2894/4885CPB2 128/4885

“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.