Thiamine Ion

Thiamine Ion

SCHEMBL41101

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 known ✓ P07900 1/20 0.95
KDM4E B2RXH2 1/20 0.70
TKT P29401 11/20 0.67
TDP1 Q9NUW8 1/20 0.67
LMNA P02545 1/20 0.62
ALDH1A1 P00352 1/20 0.59

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 SCHEMBL7200449 1.00 HSP90AA1 (0.95) HSP90AA1KDM4ETKTTDP1LMNA
Thiamine Ion SCHEMBL1644252 1.00 HSP90AA1 (0.95) HSP90AA1KDM4ETKTTDP1LMNA
Thiamine Ion SCHEMBL258492 1.00 HSP90AA1 (0.95) HSP90AA1KDM4ETKTTDP1LMNA
Thiamine Ion SCHEMBL1251742 1.00 HSP90AA1 (0.95) HSP90AA1KDM4ETKTTDP1LMNA
Thiamine Ion SCHEMBL5317564 1.00 HSP90AA1 (0.95) HSP90AA1KDM4ETKTTDP1LMNA
Thiamine Ion SCHEMBL30028012 1.00 HSP90AA1 (0.95) HSP90AA1KDM4ETKTTDP1LMNA
Thiamine Ion SCHEMBL16085815 0.99 HSP90AA1 (0.93) HSP90AA1KDM4ETKTTDP1LMNA
Thiamine Ion SCHEMBL18879464 0.99 HSP90AA1 (0.93) HSP90AA1KDM4ETKTTDP1LMNA
Thiamine Ion SCHEMBL18167436 0.99 HSP90AA1 (0.93) HSP90AA1KDM4ETKTTDP1LMNA
Thiamine Ion SCHEMBL28055245 0.99 HSP90AA1 (0.93) HSP90AA1KDM4ETKTTDP1LMNA

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

Appears in 54458 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122074396-A Method for rapid propagation of radix cynanchi bungei seedlings and seedling raising thereof 2026-05-26 CN claimed
CN-121379932-B Culture medium for high-density serum-free suspension culture of BHK-21 cells and application thereof Zhongsheng tianxinhe (Wuxi) Biotechnology Co.,Ltd. (CN) 2026-05-26 CN claimed
CN-122081234-A Low-serum MSB1 suspension medium and chicken infectious anemia virus inactivated vaccine 2026-05-26 CN claimed
CN-122074613-A Bergamot effervescent tablet based on microencapsulation inclusion technology and preparation method thereof 2026-05-26 CN claimed
CN-122060613-A Preparation method of anaerobic microbial agent for stably degrading 1, 4-dichlorobenzene 南京大学 2026-05-19 CN claimed
CN-122039173-A Acidic copper plating brightening agent, acidic copper plating electroplating solution and electroplating process thereof 惠州金晟新电子科技有限公司 2026-05-15 CN claimed
CN-115820503-B Preparation method of fecal bacteria for intestinal flora transplantation 山东省大健康精准医疗产业技术研究院 2026-05-15 CN claimed
CN-119547727-B Technology for shortening cotton breeding period and application 河北农业大学 2026-05-15 CN claimed
CN-121555202-B Microbial soil conditioner and preparation method and application thereof 山东北游生物科技有限公司 2026-05-15 CN claimed
CN-122012386-A Cell culture medium for producing/preparing mesenchymal stem cell exosomes 上海英浛思生物技术有限公司 2026-05-12 CN claimed
EP-0019054-A1 Nutrient medium and its use in testing antimicrobial agents F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-11-26 EP claimed
US-4218492-A FREE OF NITRATES, NITRITES, OR VEGETABLE BINDER Micromatic, Inc. (US) 1980-08-19 US claimed
US-4204366-A Method of non-agricultural production of cotyledons PURDUE RESEARCH FOUNDATION (US) 1980-05-27 US claimed
US-4167562-A Method and composition for treating arteriosclerosis EVERS H RAY 1979-09-11 US claimed
US-4081565-A ADDING A MEAT ENZYMATIC DIGEST, AND A SULFUR COMPOUND INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-03-28 US claimed
US-4076852-A MIXING CYSTEINE HYDROCHLORIDE, EGGS, THIAMINE HYDROCHLORIDE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-02-28 US claimed
US-4048316-A Composition for antagonizing the narcotic effects of barbiturate addiction and withdrawal effects, and for treatment of barbiturate poisoning PENN NATHAR W 1977-09-13 US claimed
US-4042733-A Forming solid, adhesive-free composite of membrane filters and cellulosic cardboard BOEHRINGER INGELHEIM GMBH (DT) 1977-08-16 US claimed
US-3960670-A Method and apparatus for sterility monitoring PFLUG IRVING J 1976-06-01 US claimed
US-3959509-A Flavoring foodstuffs using sulfur-containing compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-05-25 US claimed