Hydrochloric Acid

Hydrochloric Acid

SCHEMBL21834067

CNC(Cc1ccc(O)c(O)c1)C(=O)OC.Cl

nearest known ligand 0.65

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
▸ LCK known ✓ P06239 2/20 0.65
▸ MMP1 known ✓ P03956 1/20 0.50
▸ MMP13 known ✓ P45452 1/20 0.50
▸ ESR1 known ✓ P03372 2/20 0.49
▸ HTR2A known ✓ P28223 2/20 0.49
▸ PTGS2 known ✓ P35354 2/20 0.49
▸ NR3C1 known ✓ P04150 1/20 0.49
▸ GLA known ✓ P06280 1/20 0.49
▸ CHRM1 known ✓ P11229 1/20 0.49
▸ DRD2 known ✓ P14416 1/20 0.49
▸ ADRA2B known ✓ P18089 1/20 0.49
▸ SLC6A2 known ✓ P23975 1/20 0.49
▸ ADRA1A known ✓ P35348 1/20 0.49
▸ HRH1 known ✓ P35367 1/20 0.49
▸ DRD3 known ✓ P35462 1/20 0.49
▸ PPARG known ✓ P37231 1/20 0.49
▸ OPRK1 known ✓ P41145 1/20 0.49
▸ HTR2B known ✓ P41595 1/20 0.49
▸ SLC6A3 known ✓ Q01959 1/20 0.49
▸ PDE4D known ✓ Q08499 1/20 0.49

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
SCHEMBL5310702 0.98 LCK (0.67) LCKMMP1MMP2MMP3MMP9
SCHEMBL21834064 0.87 LCK (0.53) LCKMMP1MMP2MMP3MMP9
SCHEMBL14617725 0.87 LCK (0.53) LCKMMP1MMP2MMP3MMP9
SCHEMBL8008620 0.86 LCK (0.67) LCKMMP1MMP2MMP3MMP9
SCHEMBL25100766 0.85 LCK (0.52) LCKMMP1MMP2MMP3MMP9
SCHEMBL15149699 0.85 CA2 (0.56) LCKOPRK1HSD17B2CA1CA2
Hydrochloric Acid SCHEMBL4717666 0.85 LCK (0.62) LCKMMP1MMP2MMP3MMP9
SCHEMBL11539388 0.85 LCK (0.65) LCKMMP1MMP2MMP3MMP9
Hydrochloric Acid SCHEMBL523205 0.84 KDM6B (0.58) LCKALOX15ALOX12KDM4EHIF1A
Hydrochloric Acid SCHEMBL29670211 0.84 KDM6B (0.58) LCKALOX15ALOX12KDM4EHIF1A

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
EP-4295864-A2 PHENYLPROPIONIC ACID DERIVATIVES FOR MODULATING PATHOGEN ACTIVITY Research Institute at Nationwide Children's Hospital (US) 2023-12-27 — — EP disclosed
EP-3856196-B1 PHENYLPROPIONIC ACID DERIVATIVES FOR MODULATING PATHOGEN ACTIVITY UNIV GRIFFITH (AU) 2023-11-15 — — EP disclosed
US-20210338685-A1 AGENTS AND METHODS FOR MODULATING PATHOGEN ACTIVITY RESEARCH INSTITUTE AT NATIONWIDE CHILDREN'S HOSPITAL 2021-11-04 — — US disclosed
EP-3856196-A1 AGENTS AND METHODS FOR MODULATING PATHOGEN ACTIVITY Griffith University (AU) 2021-08-04 — — EP disclosed
WO-2020061649-A1 AGENTS AND METHODS FOR MODULATING PATHOGEN ACTIVITY GRIFFITH UNIVERSITY (AU) 2020-04-02 — — 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-20210338685-A1 AGENTS AND METHODS FOR MODULATING PATHOGEN ACTIVITY C3AR1, HAVCR2, C5AR1 LCK 612/4885MMP1 1161/4885MMP13 1379/4885

“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.

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