Niacinamide

Niacinamide

SCHEMBL6233231

NC(=O)c1cccnc1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.64
DNPH1 O43598 1/20 0.64
PRKAB2 O43741 1/20 0.64
TRPM2 O94759 1/20 0.64
LDHA P00338 1/20 0.64
ADRB2 P07550 1/20 0.64
FBP1 P09467 1/20 0.64
SRC P12931 1/20 0.64
P2RY2 P41231 1/20 0.64
P2RY1 P47900 1/20 0.64
PRKAG1 P54619 1/20 0.64
PRKAA2 P54646 1/20 0.64
PDE4D Q08499 1/20 0.64
KCNH2 Q12809 1/20 0.64
PRKAA1 Q13131 1/20 0.64
PDE3A Q14432 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
TAS1R3 Q7RTX0 1/20 0.64
TAS1R1 Q7RTX1 1/20 0.64
P2RY11 Q96G91 1/20 0.64

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
Adenosine Phosphate SCHEMBL27419541 0.93 P2RY1 (0.75) ADORA1DNPH1PRKAB2TRPM2LDHA
Adenosine Phosphate SCHEMBL160972 0.93 P2RY1 (0.75) ADORA1DNPH1PRKAB2TRPM2LDHA
Adenosine Diphosphate SCHEMBL570243 0.87 ADH1A (0.74) TRPM2SRCP2RY2P2RY1SMN1; SMN2
SCHEMBL29431883 0.87 P2RY1 (0.83) ADORA1DNPH1PRKAB2TRPM2LDHA
SCHEMBL1061029 0.87 P2RY1 (0.83) ADORA1DNPH1PRKAB2TRPM2LDHA
SCHEMBL23867092 0.87 P2RY1 (0.83) ADORA1DNPH1PRKAB2TRPM2LDHA
SCHEMBL31266503 0.87 P2RY1 (0.83) ADORA1DNPH1PRKAB2TRPM2LDHA
SCHEMBL21067751 0.87 P2RY1 (0.83) ADORA1DNPH1PRKAB2TRPM2LDHA
SCHEMBL15498428 0.87 P2RY1 (0.83) ADORA1DNPH1PRKAB2TRPM2LDHA
SCHEMBL42104 0.87 P2RY1 (0.83) ADORA1DNPH1PRKAB2TRPM2LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0813600-B1 PHOTOMETRICAL TEST TO DETECT PYROPHOSPHATE AFTER ITS CONVERTION BY ENZYMES FORSCHUNGSZENTRUM JUELICH GMBH (DE) 2005-05-18 EP disclosed