Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2529217

Cl.O=C(O)Cc1ccccc1Cl

nearest known ligand 0.62

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
TTR known ✓ P02766 2/20 0.59
PTGS2 known ✓ P35354 2/20 0.59
PTGS1 known ✓ P23219 1/20 0.59
ADRA1A known ✓ P35348 1/20 0.59
CHRM1 known ✓ P11229 1/20 0.50
CXCL8 P10145 4/20 0.62
CTBP2 P56545 1/20 0.59
AKR1B1 P15121 2/20 0.59
AKR1B10 O60218 1/20 0.59
UGT1A9 O60656 1/20 0.59
TRPA1 O75762 1/20 0.59
ABCB11 O95342 1/20 0.59
MT-CO2 P00403 1/20 0.59
ALB P02768 1/20 0.59
UGT1A6 P19224 1/20 0.59
UGT1A1 P22309 1/20 0.59
CXCR1 P25024 1/20 0.59
AGTR2 P50052 1/20 0.59
NR1I3 Q14994 1/20 0.59
SLC22A6 Q4U2R8 1/20 0.59

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
SCHEMBL194831 0.98 CXCL8 (0.65) CXCL8CTBP2AKR1B1TTRPTGS2
SCHEMBL29933245 0.98 CXCL8 (0.65) CXCL8CTBP2AKR1B1TTRPTGS2
Ammonia Solution, Strong SCHEMBL28173002 0.96 CXCL8 (0.62) CXCL8CTBP2AKR1B1TTRPTGS2
SCHEMBL27930873 0.96 CXCL8 (0.62) CXCL8CTBP2AKR1B1TTRPTGS2
SCHEMBL11226769 0.96 CXCL8 (0.62) CXCL8CTBP2AKR1B1TTRPTGS2
Bromide SCHEMBL8119525 0.96 CXCL8 (0.62) CXCL8CTBP2AKR1B1TTRPTGS2
Acetic Acid SCHEMBL11770944 0.92 CXCL8 (0.59) CXCL8CTBP2AKR1B1TTRPTGS2
SCHEMBL11776630 0.90 CXCL8 (0.57) CXCL8CTBP2AKR1B1TTRPTGS2
Hydrochloric Acid SCHEMBL6767821 0.84 AKR1B1 (0.73) CXCL8AKR1B1TTRPTGS2AKR1B10
Hydrochloric Acid SCHEMBL9621764 0.84 AKR1B1 (0.73) CXCL8AKR1B1TTRPTGS2AKR1B10

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
US-8039501-B2 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2011-10-18 US disclosed
US-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2009-01-29 US disclosed
EP-1848720-A1 RAPID RESOLUTION PROCESS FOR CLOPIDOGREL BASE AND A PROCESS FOR PREPARATION OF CLOPIDOGREL BISULFATE POLYMORPH - FORM I USV LIMITED (IN) 2007-10-31 EP disclosed
WO-2006087729-A1 RAPID RESOLUTION PROCESS FOR CLOPIDOGREL BASE AND A PROCESS FOR PREPARATION OF CLOPIDOGREL BISULFATE POLYMORPH - FORM I USV LIMITED (IN) 2006-08-24 WO disclosed
US-6653415-B1 Atom transfer radical polymerization (ATRP) by reaction with initiator BOETTCHER HENRIK (DE) 2003-11-25 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 (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-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents HRH1, HRH3, HRH2 TTR 2174/4885PTGS2 132/4885PTGS1 51/4885

“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.