Cetylpyridinium

Cetylpyridinium

SCHEMBL2774630

CCCCCCCCCCCCCCCC[n+]1ccccc1.Cl

nearest known ligand 0.95

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 Cetylpyridinium. 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
ACHE known ✓ P22303 4/20 0.95
CHRM2 known ✓ P08172 2/20 0.95
ADRA2A known ✓ P08913 2/20 0.95
CHRM1 known ✓ P11229 2/20 0.95
SLC6A2 known ✓ P23975 2/20 0.95
SLC6A4 known ✓ P31645 2/20 0.95
SLC6A3 known ✓ Q01959 2/20 0.95
ESR1 known ✓ P03372 1/20 0.95
HTR1A known ✓ P08908 1/20 0.95
DRD1 known ✓ P21728 1/20 0.95
PTGS1 known ✓ P23219 1/20 0.95
PDE4A known ✓ P27815 1/20 0.95
ADRA1A known ✓ P35348 1/20 0.95
OPRM1 known ✓ P35372 1/20 0.95
DRD3 known ✓ P35462 1/20 0.95
KCNH2 known ✓ Q12809 1/20 0.95
CACNA1C known ✓ Q13936 1/20 0.95
SCN5A known ✓ Q14524 1/20 0.95
HRH3 known ✓ Q9Y5N1 1/20 0.95
HSP90AA1 known ✓ P07900 2/20 0.91

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 SCHEMBL28028186 1.00 ACHE (0.95) ACHECHRM2ADRA2AADORA3CHRM1
Hydrochloric Acid SCHEMBL2117173 1.00 ACHE (0.95) ACHECHRM2ADRA2AADORA3CHRM1
Cetylpyridinium SCHEMBL28284539 1.00 ACHE (0.95) ACHECHRM2ADRA2AADORA3CHRM1
Hydrochloric Acid SCHEMBL28283291 1.00 ACHE (0.95) ACHECHRM2ADRA2AADORA3CHRM1
Cetylpyridinium SCHEMBL9070180 1.00 ACHE (0.95) ACHECHRM2ADRA2AADORA3CHRM1
Hydrochloric Acid SCHEMBL28155955 1.00 ACHE (0.95) ACHECHRM2ADRA2AADORA3CHRM1
Cetylpyridinium SCHEMBL28386109 1.00 ACHE (0.95) ACHECHRM2ADRA2AADORA3CHRM1
Cetylpyridinium SCHEMBL27758101 1.00 ACHE (0.95) ACHECHRM2ADRA2AADORA3CHRM1
Hydrochloric Acid SCHEMBL1889300 1.00 ACHE (0.95) ACHECHRM2ADRA2AADORA3CHRM1
Hydrochloric Acid SCHEMBL25413606 0.98 ACHE (0.91) ACHECHRM2ADRA2AADORA3CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117463300-A Efficient antibacterial air environment-friendly filter material and preparation method thereof 徐州世恒环保科技有限公司 2024-01-30 CN claimed
CN-116655571-A Preparation method of griseofulvin superfine crystals 天津大学 2023-08-29 CN claimed
CN-112876752-A Antibacterial ground mat and preparation method thereof 上海科特加地垫制造有限公司 2021-06-01 CN claimed
CN-110156428-A Core-shell structure Na2SO4Phase change particle composite Al2O3-SiO2Preparation method of aerogel heat insulation material 南京工业大学 2019-08-23 CN claimed
CN-109453748-A The modified iodine adsorbent material of efficiently reversible fat-soluble carbon dots, preparation and application 四川大学 2019-03-12 CN claimed
CN-108589287-A A kind of in-situ preparation method of fluorescence cotton fiber 四川大学 2018-09-28 CN claimed
CN-106751021-A A kind of corrosion resistant ethylene propylene diene rubber 佛山市高明区生产力促进中心 2017-05-31 CN claimed
US-20150313885-A1 SOLID UNIT WITH HIGH FEXOFENADINE CONTENT AND PROCESS FOR THE PREPARATION THEREOF OPELLA HEALTHCARE GROUP SAS (FR) 2015-11-05 US claimed
EP-2934491-A1 SOLID UNIT WITH HIGH FEXOFENADINE CONTENT AND PROCESS FOR THE PREPARATION THEREOF SANOFI (FR) 2015-10-28 EP claimed
WO-2014096387-A1 SOLID UNIT WITH HIGH FEXOFENADINE CONTENT AND PROCESS FOR THE PREPARATION THEREOF SANOFI (FR) 2014-06-26 WO claimed
US-20080280290-A1 Method and Device for the Collection and Isolation of Nucleic Acid BIOVENTURES, INC. 2008-11-13 US claimed
WO-2008117300-A2 IMPROVED PROCESS FOR THE PREPARATION OF CADEXOMER IODINE NATCO PHARMA LIMITED (IN) 2008-10-02 WO claimed
EP-1917982-A1 Product for the treatment of inflammation, bruises and/or ulcers in the oral area and the use of such a product Lohmann & Rauscher GmbH & Co. KG (DE) 2008-05-07 EP claimed
CN-1895672-A Multifunctional broad-spectrum obtundent of polyphyletic synergistic and its use LINXIANG BIOLOG TECHNOLOGY CO (CN) 2007-01-17 CN claimed
CN-1213715-C Antimicrobial caries-detecting composition KURARAY CO (JP) 2005-08-10 CN claimed
CN-1623394-A Multielement syneryistic multifunction broad spectrum disinfectant and its application HONG LIN (CN) 2005-06-08 CN claimed
EP-0865785-B1 Antimicrobial caries-detecting composition KURARAY CO (JP) 2003-05-14 EP claimed
US-6337357-B1 MICROBIOCIDES, SOLVENTS, CARRIES AND DENTISTRY KURARAY CO., LTD. (JP) 2002-01-08 US claimed
CN-1204505-A Antimicrobial caries-detecting composition KURARAY CO (JP) 1999-01-13 CN claimed
EP-0865785-A2 Antimicrobial caries-detecting composition KURARAY CO., LTD. (JP) 1998-09-23 EP claimed

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-20150313885-A1 SOLID UNIT WITH HIGH FEXOFENADINE CONTENT AND PROCESS FOR THE PREPARATION THEREOF HRH2, HRH4, SFXN1 ACHE 3157/4885CHRM2 2266/4885ADRA2A 1749/4885

“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.