Hydrochloric Acid

Hydrochloric Acid

SCHEMBL229442

Cl.O=C(O)c1ccccc1-c1ccccc1

nearest known ligand 0.67

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
CHRNB4 known ✓ P30926 2/20 0.57
CHRNA3 known ✓ P32297 2/20 0.57
CA2 known ✓ P00918 1/20 0.50
HNF4A P41235 1/20 0.67
BCAT2 O15382 1/20 0.65
FABP3 P05413 1/20 0.60
FABP4 P15090 1/20 0.60
FABP5 Q01469 1/20 0.60
ALDH1A1 P00352 2/20 0.59
ALOX15 P16050 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
CHRNB2 P17787 2/20 0.57
CHRNA4 P43681 2/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
MYC P01106 1/20 0.53
TSHR P16473 1/20 0.53
RECQL P46063 1/20 0.53

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 SCHEMBL27349757 1.00 HNF4A (0.67) HNF4ABCAT2FABP3FABP4FABP5
Benzene SCHEMBL1403559 0.98 HNF4A (0.69) HNF4ABCAT2FABP3FABP4FABP5
Benzene SCHEMBL28480917 0.98 HNF4A (0.69) HNF4ABCAT2FABP3FABP4FABP5
SCHEMBL133057 0.98 HNF4A (0.69) HNF4ABCAT2FABP3FABP4FABP5
SCHEMBL26624744 0.98 HNF4A (0.69) HNF4ABCAT2FABP3FABP4FABP5
SCHEMBL7407371 0.95 HNF4A (0.73) HNF4ABCAT2FABP3FABP4FABP5
SCHEMBL8872993 0.95 HNF4A (0.67) HNF4ABCAT2FABP3FABP4FABP5
Biphenyl SCHEMBL9292498 0.95 HNF4A (0.67) HNF4ABCAT2FABP3FABP4FABP5
SCHEMBL17371707 0.95 HNF4A (0.67) HNF4ABCAT2FABP3FABP4FABP5
SCHEMBL8615784 0.95 HNF4A (0.67) HNF4ABCAT2FABP3FABP4FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2258745-A None JP disclosed
JP-63216849-A None JP disclosed
CN-113831280-B Preparation method of boscalid 上海埃农生物科技有限公司 2023-08-15 CN disclosed
EP-2264043-B1 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS INC (US) 2017-11-08 EP disclosed
US-20160361332-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS INC (US) 2016-12-15 US disclosed
US-20140178303-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2014-06-26 US disclosed
US-RE44778-E1 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS, INC. (US) 2014-02-25 US disclosed
US-8633303-B2 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS, INC. (US) 2014-01-21 US disclosed
EP-1934236-B1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS INC (US) 2012-11-21 EP disclosed
US-20120004190-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2012-01-05 US disclosed
EP-0311010-A2 Alpha,Alpha-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1989-04-12 EP disclosed
JP-S63216849-A FLUORINE-CONTAINING LIQUID CRYSTAL COMPOUND TAKASAGO CORP 1988-09-09 JP disclosed
CN-85104470-A The method for preparing arythydroxamtes 1986-10-01 CN disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed
US-4322439-A ω-[2-(N-Lower alkyl-benzamido)-phenyl]-alkanoic acids, their use, and medicaments containing them BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-03-30 US disclosed
US-4214099-A Intermediates for synthesis of precursors for prostaglandins PFIZER INC. (US) 1980-07-22 US disclosed
US-4122093-A Process for preparing a lactone PFIZER INC. (US) 1978-10-24 US disclosed
US-3992438-A Novel prostaglandin intermediates PFIZER INC. (US) 1976-11-16 US disclosed
US-3943151-A Prostaglandin intermediates PFIZER INC. (US) 1976-03-09 US 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-20120004190-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG CHRNB4 3646/4885CHRNA3 3750/4885CA2 2193/4885
US-20160361332-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG CHRNB4 3646/4885CHRNA3 3750/4885CA2 2193/4885
US-20140178303-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG CHRNB4 3646/4885CHRNA3 3750/4885CA2 2193/4885

“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.