Thiamine Ion

Thiamine Ion

SCHEMBL6274356

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

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.68
▸ TDP1 Q9NUW8 1/20 0.57
▸ TKT P29401 10/20 0.54
▸ LMNA P02545 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.46

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 SCHEMBL1499696 1.00 HSP90AA1 (0.68) HSP90AA1TDP1TKTLMNAALDH1A1
Thiamine Ion SCHEMBL29858574 1.00 HSP90AA1 (0.68) HSP90AA1TDP1TKTLMNAALDH1A1
Thiamine Ion SCHEMBL1499697 0.99 HSP90AA1 (0.67) HSP90AA1TDP1TKTLMNAALDH1A1
Thiamine Ion SCHEMBL6274357 0.99 HSP90AA1 (0.67) HSP90AA1TDP1TKTLMNAALDH1A1
Thiamine Ion SCHEMBL7786248 0.98 HSP90AA1 (0.66) HSP90AA1TDP1TKTLMNAALDH1A1
Thiamine Ion SCHEMBL29908533 0.97 HSP90AA1 (0.64) HSP90AA1TDP1TKTLMNAALDH1A1
Thiamine Ion SCHEMBL6831590 0.92 HSP90AA1 (0.69) HSP90AA1TDP1TKTLMNAALDH1A1
Thiamine Ion SCHEMBL5329756 0.92 HSP90AA1 (0.69) HSP90AA1TDP1TKTLMNAALDH1A1
Thiamine Ion SCHEMBL6274353 0.92 HSP90AA1 (0.68) HSP90AA1TDP1TKTLMNAALDH1A1
Thiamine Ion SCHEMBL28650146 0.92 HSP90AA1 (0.68) HSP90AA1TDP1TKTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1091359-C Instant food with balanced nutrients WANG YONGHONG (CN) 2002-09-25 — — CN claimed
CN-1270771-A Instant food with balanced nutrients WANG YONGHONG (CN) 2000-10-25 — — CN claimed
CN-101543480-A Tablets KOWA CO 2009-09-30 — — CN disclosed
JP-2005097171-A BACTERICIDE COMPOSITION FOR FOOD AND METHOD FOR PRODUCING FOOD SHINKO SCIENCE CORPORATION:KK 2005-04-14 — — JP disclosed
CN-1091359-C Instant food with balanced nutrients WANG YONGHONG (CN) 2002-09-25 — — CN disclosed
CN-1270771-A Instant food with balanced nutrients WANG YONGHONG (CN) 2000-10-25 — — CN disclosed
US-4935257-A ADDING GLIADIN AND/OR GLUTENIN ASAMA CHEMICAL CO., LTD. (JP) 1990-06-19 — — US disclosed
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