Niacin

Niacin

SCHEMBL6684757

CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)CC=C(O)[C@@]45C[C@@]35CC[C@]12C.O=C(O)c1cccnc1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EBP Q15125 8/20 0.39
▸ ACLY P53396 2/20 0.36
▸ ACACA Q13085 2/20 0.36
▸ PRKAG1 P54619 1/20 0.35
▸ PRKAA2 P54646 1/20 0.35
▸ PRKAB1 Q9Y478 1/20 0.35
▸ HMGCR P04035 2/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ APP P05067 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HCAR3 P49019 1/20 0.31
▸ HCAR2 Q8TDS4 1/20 0.31
▸ TBXAS1 P24557 1/20 0.31
▸ CDC25A P30304 1/20 0.31
▸ CDC25B P30305 1/20 0.31

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
SCHEMBL159792 0.86 EBP (0.47) EBPACLYACACAPRKAG1PRKAA2
SCHEMBL10638409 0.81 EBP (0.40) EBPACLYACACAPRKAG1PRKAA2
SCHEMBL6341662 0.79 HSD11B1 (0.45) EBPACLYACACAHMGCRHSD11B1
SCHEMBL10638415 0.78 EBP (0.40) EBPACLYACACAPRKAG1PRKAA2
SCHEMBL10634936 0.76 EBP (0.38) EBPACLYACACAPRKAG1PRKAA2
SCHEMBL10638467 0.76 EBP (0.38) EBPACLYACACAHMGCRHSD11B1
SCHEMBL10638617 0.76 EBP (0.41) EBPACLYACACAHMGCRHSD11B1
SCHEMBL10638401 0.76 EBP (0.41) EBPACLYACACAPRKAG1PRKAA2
SCHEMBL377472 0.76 ACLY (0.38) EBPACLYACACAPRKAG1PRKAA2
SCHEMBL10638347 0.74 EBP (0.40) EBPACLYACACAHMGCRHSD11B1

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
WO-2004080920-A1 HYDROPONIC PLANT NUTRIENT KIT AND METHOD OF USE ADVANCED NUTRIENTS LTD. (CA) 2004-09-23 — — WO disclosed
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