Alpha-Ketoglutaric Acid

Alpha-Ketoglutaric Acid

SCHEMBL164504

C1=Cc2ccccc2C=CN1.O=C(O)CCC(=O)C(=O)O

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
SLC13A3 Q8WWT9 1/20 0.48
EGLN1 Q9GZT9 1/20 0.48
OR51E2 Q9H255 1/20 0.48
NR4A2 P43354 1/20 0.40
KEAP1 Q14145 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP2C19 P33261 2/20 0.37
GAA P10253 1/20 0.37
SLC15A1 P46059 1/20 0.37
FFAR1 O14842 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 2/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
HIF1A Q16665 1/20 0.36
PTPN1 P18031 1/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
HDAC3 O15379 1/20 0.35

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
Succinic Acid SCHEMBL165702 0.91 NR4A2 (0.47) MAPK1NR4A2KEAP1ALDH1A1CYP2C19
Alpha-Ketoglutaric Acid SCHEMBL10389244 0.76 MAPK1 (0.58) MAPK1SLC13A3EGLN1OR51E2NR4A2
Acetone SCHEMBL28779633 0.73 SMN1; SMN2 (0.37) MAPK1ALDH1A1GAASMN1; SMN2LMNA
Fumaric Acid SCHEMBL165681 0.72 HCAR2 (0.43) EGLN1ALDH1A1CYP2C19LMNAHDAC3
Alpha-Ketoglutaric Acid SCHEMBL29265285 0.72 MAPK1 (0.58) MAPK1SLC13A3EGLN1OR51E2NR4A2
Maleic Acid SCHEMBL29935550 0.72 HCAR2 (0.43) EGLN1ALDH1A1CYP2C19LMNAHDAC3
SCHEMBL164600 0.72 PARP1 (0.42) GAALMNATSHRMAPT
Citric Acid SCHEMBL165526 0.71 ALDH1A1 (0.50) ALDH1A1CYP2C19CYP1A2LMNAHIF1A
Alpha-Ketoglutaric Acid SCHEMBL27546478 0.71 AKR1B1 (0.68) MAPK1SLC13A3EGLN1OR51E2NR4A2
Trifluoroacetic Acid SCHEMBL507291 0.71 CES1 (0.42) MAPK1CYP1A2HDAC6CYP2D6

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
EP-2611449-A1 ADMINISTRATION OF LORCASERIN TO INDIVIDUALS WITH RENAL IMPAIRMENT Arena Pharmaceuticals, Inc. (US) 2013-07-10 EP disclosed
WO-2012030939-A1 ADMINISTRATION OF LORCASERIN TO INDIVIDUALS WITH RENAL IMPAIRMENT ARENA PHARMACEUTICALS, INC. (US) 2012-03-08 WO disclosed