Niacin

Niacin

SCHEMBL21747599

O=C(O)c1cccnc1.O=S(=O)(O)CS(=O)(=O)O.[SeH2]

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.70
APP P05067 1/20 0.70
GAA P10253 1/20 0.70
HCAR3 P49019 1/20 0.70
HCAR2 Q8TDS4 1/20 0.70
PLOD2 O00469 1/20 0.51
KMO O15229 1/20 0.49
F7 P08709 1/20 0.49
F3 P13726 1/20 0.49
SARM1 Q6SZW1 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
SIRT6 Q8N6T7 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
SIRT3 Q9NTG7 1/20 0.49
SIRT5 Q9NXA8 1/20 0.49
SIRT4 Q9Y6E7 1/20 0.49
PTGS2 P35354 1/20 0.48
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
THRB P10828 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
Niacin SCHEMBL28257562 0.88 ALDH1A1 (0.72) ALDH1A1APPGAAHCAR3HCAR2
Niacin SCHEMBL6712322 0.88 ALDH1A1 (0.84) ALDH1A1APPGAAHCAR3HCAR2
Niacin SCHEMBL28400834 0.86 ALDH1A1 (0.81) ALDH1A1APPGAAHCAR3HCAR2
Niacin SCHEMBL27827804 0.86 ALDH1A1 (0.81) ALDH1A1APPGAAHCAR3HCAR2
Niacin SCHEMBL28400835 0.86 ALDH1A1 (0.81) ALDH1A1APPGAAHCAR3HCAR2
Niacin SCHEMBL23780929 0.86 ALDH1A1 (0.95) ALDH1A1APPGAAHCAR3HCAR2
Niacin SCHEMBL23780927 0.86 ALDH1A1 (0.95) ALDH1A1APPGAAHCAR3HCAR2
Niacin SCHEMBL31324786 0.84 ALDH1A1 (0.78) ALDH1A1APPGAAHCAR3HCAR2
Niacin SCHEMBL30792556 0.84 ALDH1A1 (0.66) ALDH1A1APPGAAHCAR3HCAR2
Niacin SCHEMBL1433 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219980-A1 ENERGY-EFFICIENT SOLVENT-FREE METHOD FOR PRODUCING METAL CHELATES TECHNISCHE UNIVERSITAT CLAUSTHAL (DE) 2023-07-13 US disclosed
US-11649252-B2 Energy-efficient solvent-free method for producing metal chelates TECHNISCHE UNIVERSITAT CLAUSTHAL (DE) 2023-05-16 US disclosed
US-20210309674-A1 ENERGY-EFFICIENT SOLVENT-FREE METHOD FOR PRODUCING METAL CHELATES TECHNISCHE UNIVERSITAT CLAUSTHAL (DE) 2021-10-07 US disclosed
EP-3612542-A1 ENERGY-EFFICIENT SOLVENT-FREE METHOD FOR PRODUCING METAL CHELATES Technische Universität Clausthal (DE) 2020-02-26 EP disclosed