Niacinamide

Niacinamide

SCHEMBL17315895

Cc1ccc(S(=O)(=O)OC2O[C@H](CO)[C@@H](O)[C@H]2O)cc1.NC(=O)c1cccnc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ F7 P08709 1/20 0.41
▸ F3 P13726 1/20 0.41
▸ SARM1 Q6SZW1 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ SIRT6 Q8N6T7 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41
▸ SIRT3 Q9NTG7 1/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.41
▸ SIRT4 Q9Y6E7 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CA1 P00915 4/20 0.39
▸ CA2 P00918 4/20 0.39
▸ CA9 Q16790 4/20 0.39
▸ SLC5A2 P31639 1/20 0.38

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
Niacinamide SCHEMBL17315040 0.86 F7 (0.47) F7F3SARM1SIRT2SIRT6
Ribose (Furanose) SCHEMBL26676241 0.83 EGFR (0.44) EGFRPTGS2F7F3SARM1
Niacinamide SCHEMBL20398298 0.82 F7 (0.55) F7F3SARM1SIRT2SIRT6
SCHEMBL28182370 0.82 SLC5A2 (0.48) ALDH1A1KMT2AMEN1CA1CA2
Niacinamide SCHEMBL17315029 0.82 F7 (0.44) F7F3SARM1SIRT2SIRT6
SCHEMBL8540246 0.81 SLC5A2 (0.50) ALDH1A1KMT2AMEN1CA1CA2
SCHEMBL7645735 0.81 SLC5A2 (0.50) ALDH1A1KMT2AMEN1CA1CA2
SCHEMBL5215790 0.81 SLC5A2 (0.50) ALDH1A1KMT2AMEN1CA1CA2
SCHEMBL14890371 0.81 SLC5A2 (0.50) ALDH1A1KMT2AMEN1CA1CA2
SCHEMBL29413019 0.81 SLC5A2 (0.50) ALDH1A1KMT2AMEN1CA1CA2

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-10316054-B2 Preparation and use of crystalline beta-D-nicotinamide riboside GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-06-11 — — US disclosed
US-20170204131-A1 PREPARATION AND USE OF CRYSTALLINE BETA-D-NICOTINAMIDE RIBOSIDE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-07-20 — — US disclosed
EP-3149016-A1 PREPARATION AND USE OF CRYSTALLINE BETA-D-NICOTINAMIDE RIBOSIDE Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-04-05 — — EP disclosed
WO-2015186068-A1 PREPARATION AND USE OF CRYSTALLINE BETA-D-NICOTINAMIDE RIBOSIDE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-12-10 — — 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 (2 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-20170204131-A1 PREPARATION AND USE OF CRYSTALLINE BETA-D-NICOTINAMIDE RIBOSIDE NNT, HADHB, NAMPT EGFR 4856/4885PTGS2 4502/4885F7 3551/4885
US-10316054-B2 Preparation and use of crystalline beta-D-nicotinamide riboside NNT, HADHB, NAMPT EGFR 4856/4885PTGS2 4502/4885F7 3551/4885

“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.

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