Niacin

Niacin

SCHEMBL3081560

O=C(O)c1cccnc1.O=C(O)c1cccnc1.O=C(O)c1cccnc1.O=C(O)c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
HCAR2 Q8TDS4 2/20 1.00
APP P05067 1/20 1.00
GAA P10253 1/20 1.00
HCAR3 P49019 1/20 1.00
F7 P08709 1/20 0.65
F3 P13726 1/20 0.65
SARM1 Q6SZW1 1/20 0.65
SIRT2 Q8IXJ6 1/20 0.65
SIRT6 Q8N6T7 1/20 0.65
SIRT1 Q96EB6 1/20 0.65
SIRT3 Q9NTG7 1/20 0.65
SIRT5 Q9NXA8 1/20 0.65
SIRT4 Q9Y6E7 1/20 0.65
KMO O15229 1/20 0.63
PLOD2 O00469 1/20 0.62
MKNK1 Q9BUB5 1/20 0.62
MKNK2 Q9HBH9 1/20 0.62
HDAC1 Q13547 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61

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 SCHEMBL150011 1.00 ALDH1A1 (1.00) ALDH1A1HCAR2APPGAAHCAR3
Niacin SCHEMBL30844065 1.00
Niacin SCHEMBL29349574 1.00
Niacin SCHEMBL28292236 1.00 ALDH1A1 (1.00) ALDH1A1HCAR2APPGAAHCAR3
Niacin SCHEMBL1433 1.00
Niacin SCHEMBL29396199 1.00 ALDH1A1 (1.00) ALDH1A1HCAR2APPGAAHCAR3
Niacin SCHEMBL23780926 0.98 ALDH1A1 (0.95) ALDH1A1HCAR2APPGAAHCAR3
Niacin SCHEMBL25235888 0.98 ALDH1A1 (0.95) ALDH1A1HCAR2APPGAAHCAR3
Niacin SCHEMBL25247085 0.98 ALDH1A1 (0.95) ALDH1A1HCAR2APPGAAHCAR3
Niacin SCHEMBL23780927 0.98 ALDH1A1 (0.95) ALDH1A1HCAR2APPGAAHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 US disclosed
EP-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 EP disclosed
EP-1079832-A1 USE OF VITAMIN PP COMPOUNDS Klinge Pharma GmbH (DE) 2001-03-07 EP disclosed
EP-0999844-A1 PRETREATING HYPERLIPIDEMIC INDIVIDUALS WITH A FLUSH INHIBITING AGENT PRIOR TO NICOTINIC ACID THERAPY KOS PHARMACEUTICALS, INC. (US) 2000-05-17 EP disclosed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 WO disclosed
WO-1999006052-A1 METHODS OF PRETREATING HYPERLIPIDEMIC INDIVIDUALS WITH A FLUSH INHIBITING AGENT PRIOR TO THE START OF SINGLE DAILY DOSE NICOTINIC ACID THERAPY TO REDUCE FLUSHING PROVOKED BY NICOTINIC ACID KOS PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS PNPO, NAMPT, NAPRT ALDH1A1 1385/4885HCAR2 811/4885APP 2810/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.