Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7834151

Cl.Clc1cccc2nccn12

nearest known ligand 0.52

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
ROCK1 known ✓ Q13464 2/20 0.52
CSF1R known ✓ P07333 1/20 0.52
KDR known ✓ P35968 1/20 0.52
ACVR1 known ✓ Q04771 1/20 0.52
FLT1 known ✓ P17948 1/20 0.46
DRD1 known ✓ P21728 4/20 0.35
CDK8 P49336 2/20 0.52
CHEK1 O14757 2/20 0.52
DYRK1B Q9Y463 2/20 0.52
MAP4K4 O95819 1/20 0.52
PRKACA P17612 1/20 0.52
MAP2K1 Q02750 1/20 0.52
MAP4K2 Q12851 1/20 0.52
DYRK1A Q13627 1/20 0.52
AURKB Q96GD4 1/20 0.52
LIMK1 P53667 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
CDK9 P50750 1/20 0.46
ADORA3 P0DMS8 1/20 0.41
LTK P29376 1/20 0.37

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
SCHEMBL260187 0.98 CDK8 (0.53) CDK8ROCK1CHEK1DYRK1BMAP4K4
Bromide SCHEMBL9524427 0.96 CDK8 (0.52) CDK8ROCK1CHEK1DYRK1BMAP4K4
Hydrochloric Acid SCHEMBL5442637 0.75 CDK8 (0.52) CDK8ROCK1CHEK1DYRK1BMAP4K4
Hydrochloric Acid SCHEMBL7972162 0.75 CDK8 (0.56) CDK8ROCK1CHEK1DYRK1BMAP4K4
Hydrochloric Acid SCHEMBL7870210 0.75 CDK8 (0.47) CDK8ROCK1CHEK1DYRK1BMAP4K4
SCHEMBL18324191 0.72 CDK8 (0.53) CDK8ROCK1CHEK1DYRK1BMAP4K4
SCHEMBL21352246 0.72 CDK8 (0.53) CDK8ROCK1CHEK1DYRK1BMAP4K4
SCHEMBL22836801 0.72 CDK8 (0.53) CDK8ROCK1CHEK1DYRK1BMAP4K4
SCHEMBL260258 0.72 CDK8 (0.56) CDK8ROCK1CHEK1DYRK1BMAP4K4
SCHEMBL7896883 0.72 CDK8 (0.58) CDK8ROCK1CHEK1DYRK1BMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773641-B1 BIARYL ETHER SULFONAMIDES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2017-09-27 EP disclosed
US-9481677-B2 Biaryl ether sulfonamides and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2016-11-01 US disclosed
US-9365578-B2 2016-06-14 US disclosed
US-20140256736-A1 BIARYL ETHER SULFONAMIDES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2014-09-11 US disclosed
EP-2773641-A1 BIARYL ETHER SULFONAMIDES AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2014-09-10 EP disclosed
WO-2013064984-A1 BIARYL ETHER SULFONAMIDES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2013-05-10 WO disclosed
EP-0767790-B1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 EP disclosed
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
US-5840732-A ANTIDIABETIC AGENTS, AUTOIMMUNE DISEASES OR IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 1998-11-24 US disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed
EP-0767790-A1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-04-16 EP disclosed
WO-1995035296-A1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-28 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-20140256736-A1 BIARYL ETHER SULFONAMIDES AND THEIR USE AS THERAPEUTIC AGENTS TRPV1, TRPV3, TRPV2 ROCK1 4700/4885CSF1R 3746/4885KDR 2078/4885

“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.