Thiamine Ion

Thiamine Ion

SCHEMBL28056402

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

nearest known ligand 0.91

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.91
▸ TDP1 Q9NUW8 1/20 0.67
▸ TKT P29401 11/20 0.63
▸ LMNA P02545 1/20 0.63
▸ KDM4E B2RXH2 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.58

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 SCHEMBL28574801 0.96 HSP90AA1 (0.87) HSP90AA1TDP1TKTLMNAKDM4E
Thiamine Ion SCHEMBL10075 0.95 HSP90AA1 (1.00) HSP90AA1TDP1TKTLMNAKDM4E
Thiamine Ion SCHEMBL29361686 0.95 HSP90AA1 (1.00) HSP90AA1TDP1TKTLMNAKDM4E
Thiamine Ion SCHEMBL27955189 0.95 HSP90AA1 (1.00) HSP90AA1TDP1TKTLMNAKDM4E
Thiamine Ion SCHEMBL27429740 0.94 HSP90AA1 (0.93) HSP90AA1TDP1TKTLMNAKDM4E
Thiamine Ion SCHEMBL27571815 0.94 HSP90AA1 (0.93) HSP90AA1TDP1TKTLMNAKDM4E
Thiamine Ion SCHEMBL28462053 0.94 HSP90AA1 (0.93) HSP90AA1TDP1TKTLMNAKDM4E
Thiamine Ion SCHEMBL23290122 0.94 HSP90AA1 (0.98) HSP90AA1TDP1TKTLMNAKDM4E
Thiamine Ion SCHEMBL7090274 0.94 HSP90AA1 (0.98) HSP90AA1TDP1TKTLMNAKDM4E
Thiamine Ion SCHEMBL193755 0.94 HSP90AA1 (0.98) HSP90AA1TDP1TKTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118064274-A High-throughput screening method for degrading carbonamide strain in distilled grains of white spirit 贵州茅台酒股份有限公司 2024-05-24 — — CN claimed
CN-118064274-A High-throughput screening method for degrading carbonamide strain in distilled grains of white spirit 贵州茅台酒股份有限公司 2024-05-24 — — CN disclosed
CN-117625474-A Lactobacillus paracasei YYS-UR capable of reducing uric acid and blood sugar and application thereof 厦门元之道生物科技有限公司 2024-03-01 — — CN disclosed
CN-117089495-A Lactobacillus plantarum YYS-K3 and application thereof 厦门元之道生物科技有限公司 2023-11-21 — — CN disclosed
CN-105745214-A Tricyclic piperidine compounds 埃科特莱茵药品有限公司 2016-07-06 — — CN disclosed
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