Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2533592

CC1=Cc2ccc3ccccc3c2C1[Ti](C)(C)(=[SiH2])C1C(C)=Cc2ccc3ccccc3c21.Cl.Cl

nearest known ligand 0.35

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
HSP90AA1 known ✓ P07900 1/20 0.30
CYP2A6 P11509 3/20 0.33
TSHR P16473 3/20 0.33
CYP1A2 P05177 2/20 0.33
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
RAB9A P51151 1/20 0.31
CASP7 P55210 1/20 0.31
ATM Q13315 1/20 0.31
HIF1A Q16665 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 2/20 0.31

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 SCHEMBL6056200 0.90 MECP2 (0.30)
Hydrochloric Acid SCHEMBL8458246 0.84
Hydrochloric Acid SCHEMBL8361884 0.81 MECP2 (0.33) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL8357055 0.79 CYP1A2 (0.36) CYP1A2TAAR1CYP2C19ATM
Hydrochloric Acid SCHEMBL8677040 0.77 PRKDC (0.32) ALDH1A1KDM4EHPGDATML3MBTL1
Hydrochloric Acid SCHEMBL5872663 0.73 KDM4E (0.34) CYP2A6TSHRCYP1A2ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL5171036 0.73 CYP2A6 (0.33) CYP2A6TSHRCYP1A2ALDH1A1HSD17B10
SCHEMBL27446697 0.72 CYP2A6 (0.42) CYP2A6TSHRCYP1A2ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL5091217 0.72 CYP2A6 (0.38) CYP2A6TSHRCYP1A2ALDH1A1HSD17B10
SCHEMBL5609098 0.71 TSHR (0.37) CYP2A6TSHRCYP1A2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105608-B2 Copolymer of propylene with a conjugated diene and a process of preparing the same TONEN CHEMICAL CORPORATION (JP) 2006-09-12 US claimed
US-20050154139-A1 Copolymer of propylene with a conjugated diene and a process of preparing the same TONEN CHEMICAL CORPORATION (JP) 2005-07-14 US claimed
US-8044144-B2 Resin composition, transparent film or sheet having elasticity recovering property, and wrap film PRIME POLYMER CO., LTD. (JP) 2011-10-25 US disclosed
US-20090012238-A1 RESIN COMPOSITION, TRANSPARENT FILM OR SHEET HAVING ELASTICITY RECOVERING PROPERTY, AND WRAP FILM PRIME POLYMER CO., LTD (JP) 2009-01-08 US disclosed
US-7259215-B2 Process for producing propylene/ethylene block copolymer and propylene/ethylene block copolymer IDEMITSU KOSAN CO., LTD. (JP) 2007-08-21 US disclosed
US-7105608-B2 Copolymer of propylene with a conjugated diene and a process of preparing the same TONEN CHEMICAL CORPORATION (JP) 2006-09-12 US disclosed
US-20060014909-A1 Process for producing propylene/ethylene block copolymer and propylene/ethylene block copolymer IDEMITSU KOSAN CO., LTD. (JP) 2006-01-19 US disclosed
EP-1561762-A1 PROCESS FOR PRODUCING PROPYLENE/ETHYLENE BLOCK COPOLYMER AND PROPYLENE/ETHYLENE BLOCK COPOLYMER IDEMITSU KOSAN COMPANY LIMITED (JP) 2005-08-10 EP disclosed
US-20050154139-A1 Copolymer of propylene with a conjugated diene and a process of preparing the same TONEN CHEMICAL CORPORATION (JP) 2005-07-14 US disclosed
US-5912373-A Process for converting the achiral meso form of an ansa-metallocene complex into the chiral racemic form BASF AKTIENGESELLSCHAFT (DE) 1999-06-15 US disclosed
US-5892081-A REACTING TIN METALLOCENE WITH TRANSITION METAL HALIDE OR ALKOXIDE BASF AKTIENGESELLSCHAFT (DE) 1999-04-06 US disclosed
US-5840950-A Process for converting the achiral meso form or the racemate of an ansa-metallocene complex or mixtures thereof into one of its enantiomers BASF AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed