Thiamine Ion

Thiamine Ion

SCHEMBL193755

Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.Cl

nearest known ligand 0.98

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 Thiamine Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AA1 known ✓ P07900 1/20 0.98
TDP1 Q9NUW8 1/20 0.68
KDM4E B2RXH2 1/20 0.67
TKT P29401 12/20 0.67
LMNA P02545 1/20 0.63

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
Thiamine Ion SCHEMBL23290122 1.00 HSP90AA1 (0.98) HSP90AA1TDP1KDM4ETKTLMNA
Thiamine Ion SCHEMBL5520463 1.00 HSP90AA1 (0.98) HSP90AA1TDP1KDM4ETKTLMNA
Thiamine Ion SCHEMBL30028012 0.99 HSP90AA1 (0.95) HSP90AA1TDP1KDM4ETKTLMNA
Thiamine Ion SCHEMBL5317564 0.99 HSP90AA1 (0.95) HSP90AA1TDP1KDM4ETKTLMNA
Thiamine Ion SCHEMBL29130296 0.99 HSP90AA1 (0.95) HSP90AA1TDP1KDM4ETKTLMNA
Thiamine Ion SCHEMBL7200449 0.99 HSP90AA1 (0.95) HSP90AA1TDP1KDM4ETKTLMNA
Thiamine Ion SCHEMBL28524160 0.99 HSP90AA1 (0.95) HSP90AA1TDP1KDM4ETKTLMNA
Thiamine Ion SCHEMBL1704946 0.99 HSP90AA1 (0.95) HSP90AA1TDP1KDM4ETKTLMNA
Thiamine Ion SCHEMBL1251742 0.99 HSP90AA1 (0.95) HSP90AA1TDP1KDM4ETKTLMNA
Thiamine Ion SCHEMBL10534682 0.99 HSP90AA1 (0.95) HSP90AA1TDP1KDM4ETKTLMNA

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 1521 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230189865-A1 INFANT FORMULA ENCHANTED ACRES FARMS INC (US) 2023-06-22 US claimed
EP-4149278-A1 INFANT FORMULA Enchanted Acres Farm, Inc. (US) 2023-03-22 EP claimed
WO-2021231981-A1 INFANT FORMULA ENCHANTED ACRES FARM, INC. (US) 2021-11-18 WO claimed
CN-108690825-B Serum-free medium for protecting integrity of antibody disulfide bonds in animal cell culture 上海倍谙基生物科技有限公司 2021-08-17 CN claimed
US-10124036-B2 Liquid nutritional formula for tyrosinemia patients Cambrooke Therapeutics, Inc. (US) 2018-11-13 US claimed
CN-108464491-A A kind of emulsion stabilizer and the pancebrin containing the emulsion stabilizer 广州白云山汉方现代药业有限公司 2018-08-31 CN claimed
CN-108243955-A A kind of abductive approach of callus 康美药业(文山)药材种植管理有限公司 2018-07-06 CN claimed
CN-108064692-A A kind of abductive approach of Radix Notoginseng anther callus 康美药业(文山)药材种植管理有限公司 2018-05-25 CN claimed
US-20180064784-A9 LIQUID NUTRITIONAL FORMULA FOR TYROSINEMIA PATIENTS Cambrooke Therapeutics, Inc. (US) 2018-03-08 US claimed
EP-2776834-B1 METHOD OF IDENTIFYING PREBIOTICS AND COMPOSITIONS CONTAINING THE SAME PROCTER & GAMBLE (US) 2018-02-21 EP claimed
US-20070092546-A1 Thiamin based insect repellant VIOLET FIRE, LLC 2007-04-26 US claimed
CN-1284522-C Glucose and insulin liquid compositions for intravenous infusion HANAMARADDI T GANGAL (IN) 2006-11-15 CN claimed
US-20050260305-A1 Food supplement with separate flavoring system EAT-SMART, LLC 2005-11-24 US claimed
US-20050118671-A1 Analysis of vital substances BIOTESYS GMBH (DE) 2005-06-02 US claimed
US-6838097-B1 Pet food product DOSKOCIL MANUFACTURING COMPANY, INC. 2005-01-04 US claimed
CN-1387794-A Health table salt YUE JING (CN) 2003-01-01 CN claimed
EP-1185685-A1 CULTURE MEDIUM FOR THE DETECTION OF ZYGOSACCHAROMYCES Stab Vida-Investigacao e Servicos EM Ciencias Biologicas, Lda. (PT) 2002-03-13 EP claimed
WO-2000073494-B1 CULTURE MEDIUM FOR THE DETECTION OF ZYGOSACCHAROMYCES UNIV DO MINHO (PT) 2001-02-08 WO claimed
WO-2000073494-A1 CULTURE MEDIUM FOR THE DETECTION OF ZYGOSACCHAROMYCES UNIVERSIDADE DO MINHO (PT) 2000-12-07 WO claimed
WO-2000062812-A1 NUTRITIONAL COMPOSITION FOR IMPROVED COGNITIVE PERFORMANCE ADVOCARE INTERNATIONAL LLC (US) 2000-10-26 WO claimed