Niacinamide

Niacinamide

SCHEMBL17868382

C#CCNc1ncnc2nc[nH]c12.NC(=O)c1cccnc1

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 2/20 0.50
▸ BRD4 O60885 2/20 0.47
▸ TSHR P16473 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ F7 P08709 1/20 0.44
▸ F3 P13726 1/20 0.44
▸ SARM1 Q6SZW1 1/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ SIRT6 Q8N6T7 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ SIRT3 Q9NTG7 1/20 0.44
▸ SIRT5 Q9NXA8 1/20 0.44
▸ SIRT4 Q9Y6E7 1/20 0.44
▸ RECQL P46063 1/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43

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 SCHEMBL10685143 0.86 MKNK1 (0.52) MKNK1BRD4TSHRTP53HSD17B10
Niacinamide SCHEMBL17868384 0.84 LMNA (0.50) MKNK1BRD4TSHRTP53HSD17B10
Niacinamide SCHEMBL11597779 0.81 MKNK1 (0.47) MKNK1BRD4TSHRTP53HSD17B10
Niacinamide SCHEMBL11707347 0.81 MKNK1 (0.45) MKNK1BRD4TSHRTP53HSD17B10
Niacinamide SCHEMBL17868377 0.79 HDAC1 (0.46) MKNK1BRD4TSHRTP53HSD17B10
SCHEMBL31373431 0.79 HTT (0.65) TSHRTP53HSD17B10RECQLCYP1A2
Adenine SCHEMBL9274699 0.79 PI4KA (0.52) MKNK1BRD4F7F3SARM1
Adenine SCHEMBL15700 0.78 PI4KA (0.55) MKNK1BRD4F7F3SARM1
Adenine SCHEMBL2564210 0.78 PI4KA (0.55) MKNK1BRD4F7F3SARM1
Adenine SCHEMBL22748487 0.78 PI4KA (0.55) MKNK1BRD4F7F3SARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196412-B2 Probe for imaging PARP-1 activity THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-02-05 — — US disclosed
US-20160185805-A1 PROBE FOR IMAGING PARP-1 ACTIVITY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2016-06-30 — — US 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-10196412-B2 Probe for imaging PARP-1 activity PARP1, PARP2, PARP12 MKNK1 1994/4885BRD4 568/4885TSHR 2609/4885
US-20160185805-A1 PROBE FOR IMAGING PARP-1 ACTIVITY PARP1, PARP2, PARP12 MKNK1 1994/4885BRD4 568/4885TSHR 2609/4885

“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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