Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3680937

C1=CC(Cc2ccccc2)=C([Zr]C2=C(Cc3ccccc3)C=CC2)C1.Cl.Cl

nearest known ligand 0.39

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 19)

geneUniProtsupporting neighboursconfidence
MAOA known ✓ P21397 2/20 0.31
MAOB known ✓ P27338 2/20 0.31
ADRA2A known ✓ P08913 1/20 0.30
ADRA2B known ✓ P18089 1/20 0.30
ADRA2C known ✓ P18825 1/20 0.30
ADRA1D known ✓ P25100 1/20 0.30
ADRA1A known ✓ P35348 1/20 0.30
ADRA1B known ✓ P35368 1/20 0.30
CALM1 P0DP23 1/20 0.39
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
TAAR1 Q96RJ0 2/20 0.33
LMNA P02545 2/20 0.32
BCL2 P10415 1/20 0.31
BCL2L1 Q07817 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL2234571 0.98 CALM1 (0.41) CALM1KDM4ECYP3A4MAPTTAAR1
SCHEMBL3837766 0.96 CALM1 (0.39) CALM1KDM4ECYP3A4MAPTTAAR1
Fluoride SCHEMBL1131271 0.96 CALM1 (0.39) CALM1KDM4ECYP3A4MAPTTAAR1
Hydrochloric Acid SCHEMBL3683526 0.85 KDM4E (0.33) CALM1KDM4ECYP3A4MAPT
SCHEMBL4576265 0.81 CALM1 (0.31) CALM1
Fluoride SCHEMBL1130979 0.80 MAOA (0.35) TAAR1MAOAMAOB
SCHEMBL6209507 0.77 TP53 (0.38) TAAR1MAOAMAOBADRA2AADRA1A
Fluoride SCHEMBL1131527 0.77 HTR2A (0.39) MAOAMAOBADRA1A
SCHEMBL4576935 0.76 CALM1 (0.41) CALM1CYP3A4TAAR1LMNAMAOA
(Chloromethyl)Benzene SCHEMBL6208839 0.75 TP53 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329312-B1 POLYMERIZATION CATALYSTS FOR OLEFINS USING METALLOCENES AND ORGANOMETALLIC COCATALYSTS PHILLIPS PETROLEUM COMPANY 2001-12-11 US claimed
EP-0798315-B1 Process for preparing highly active, stable metallocene catalyst systems, and catalyst compositions prepared according therewith WITCO GMBH (DE) 1997-10-29 EP claimed
EP-1294565-B1 METALLOCENE-PRODUCED VERY LOW DENSITY POLYETHYLENE AND LOW DENSITY POLYETHYLENE BLENDS UNIVATION TECH LLC (US) 2010-03-17 EP disclosed
EP-1373404-B1 POLYETHYLENE BLENDS UNIVATION TECH LLC (US) 2009-06-03 EP disclosed
EP-1299470-B1 VERY LOW DENSITY POLYETHYLENE AND HIGH DENSITY POLYETHYLENE BLENDS UNIVATION TECH LLC (US) 2007-08-08 EP disclosed
EP-1810992-A1 Polyethylene blends Univation Technologies, LLC (US) 2007-07-25 EP disclosed
US-7220801-B2 Metallocene-produced very low density polyethylenes or linear low density polyethylenes as impact modifiers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-22 US disclosed
US-20060276594-A1 Very low density polyethylene blends UNIVATION TECHNOLOGIES, LLC (US) 2006-12-07 US disclosed
US-7135526-B2 Very low density polyethylene and high density polyethylene blends UNIVATION TECHNOLOGIES, LLC (US) 2006-11-14 US disclosed
US-7125933-B2 Very low density polyethylene blends UNIVATION TECHNOLOGIES, LLC (US) 2006-10-24 US disclosed
US-6953828-B2 Polymeric membrane compositions EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2005-10-11 US disclosed
EP-1325073-A2 METALLOCENE-PRODUCED VERY LOW DENSITY POLYETHYLENES ExxonMobil Chemical Patents Inc. (US) 2003-07-09 EP disclosed
WO-2003033585-A1 POLYMERIC MEMBRANE COMPOSITIONS EXXONMOBILE CHEMICAL PATENTS INC. (US) 2003-04-24 WO disclosed
EP-1299470-A1 VERY LOW DENSITY POLYETHYLENE AND HIGH DENSITY POLYETHYLENE BLENDS ExxonMobil Chemical Patents Inc. (US) 2003-04-09 EP disclosed
EP-1294565-A2 METALLOCENE-PRODUCED VERY LOW DENSITY POLYETHYLENE AND LOW DENSITY POLYETHYLENE BLENDS ExxonMobil Chemical Patents Inc. (US) 2003-03-26 EP disclosed
WO-2003000790-A1 METALLOCENE-PRODUCED VERY LOW DENSITY POLYETHYLENES OR LINEAR LOWDENSITY POLYETHYLENES AS IMPACT MODIFIERS EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2003-01-03 WO disclosed
WO-2002000436-A2 METALLOCENE-PRODUCED VERY LOW DENSITY POLYETHYLENE AND LOW DENSITY POLYETHYLENE BLENDS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-01-03 WO disclosed
WO-2001098409-A1 VERY LOW DENSITY POLYETHYLENE AND HIGH DENSITY POLYETHYLENE BLENDS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2001-12-27 WO disclosed
WO-2001098372-A2 METALLOCENE-PRODUCED VERY LOW DENSITY POLYETHYLENES EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2001-12-27 WO disclosed
WO-2001098406-A2 POLYETHYLENE BLENDS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2001-12-27 WO disclosed