Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4444069

Cc1cc2c(-c3ccccc3)ccccc-2c1[Zr]c1c(C)cc2c(-c3ccccc3)ccccc1-2.Cl.Cl

nearest known ligand 0.40

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
ESR2 known ✓ Q92731 1/20 0.40
PTGS2 known ✓ P35354 1/20 0.36
CA2 known ✓ P00918 1/20 0.33
CYP2A6 P11509 2/20 0.38
CYP2B6 P20813 1/20 0.38
PSMB5 P28074 1/20 0.37
BACE1 P56817 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ALDH1A1 P00352 7/20 0.34
HPGD P15428 4/20 0.34
HSD17B10 Q99714 3/20 0.34
BCL2L1 Q07817 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MCOLN3 Q8TDD5 2/20 0.34
LMNA P02545 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 2/20 0.33

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 SCHEMBL6869685 0.92 ESR2 (0.35) ESR2CYP2A6CYP2B6PSMB5PTGS2
Hydrochloric Acid SCHEMBL27629776 0.74 ESR2 (0.41) ESR2CYP2A6CYP2B6PSMB5PTGS2
SCHEMBL4830408 0.71 ESR2 (0.60) ESR2CYP2A6CYP2B6PSMB5BACE1
SCHEMBL1476609 0.71 ALDH1A1 (0.58) CYP2A6PTGS2BACE1PDCD1CD274
Hydrochloric Acid SCHEMBL27634388 0.71 ALDH1A1 (0.58) CYP2A6PTGS2BACE1ALDH1A1HPGD
Water SCHEMBL10589969 0.71 ALDH1A1 (0.58) CYP2A6PTGS2BACE1PDCD1CD274
Water SCHEMBL9138909 0.71 ALDH1A1 (0.58) CYP2A6PTGS2BACE1PDCD1CD274
Hydrochloric Acid SCHEMBL714601 0.70 ESR2 (0.38) ESR2CYP2A6CYP2B6PSMB5PTGS2
Water SCHEMBL7781910 0.70 ALDH1A1 (0.48) ESR2CYP2A6CYP2B6PTGS2PDCD1
Hydrochloric Acid SCHEMBL28832617 0.69 ESR2 (0.52) ESR2CYP2A6CYP2B6BACE1PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1247573-B1 Catalyst for polymerizing olefin and process for polymerizing olefin JAPAN POLYPROPYLENE CORP (JP) 2009-10-21 EP disclosed
US-7005400-B2 Component of catalyst for polymerizing olefin, catalyst for polymerizing olefin and process for polymerizing olefin JAPAN POLYCHEM CORPORATION (JP) 2006-02-28 US disclosed
US-20030054952-A1 Component of catalyst for polymerizing olefin, catalyst for polymerizing olefin and process for polymerizing olefin JAPAN POLYCHEM CORPORATION (JP) 2003-03-20 US disclosed
EP-1247573-A1 Component of catalyst for polymerizing olefin, catalyst for polymerizing olefin and process for polymerizing olefin Japan Polychem Corporation, Catalyst Research & Development Center (JP) 2002-10-09 EP disclosed