Citric Acid

Citric Acid

SCHEMBL28825296

NC(=O)c1cccnc1.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=CC(O)C(O)C(O)CO

nearest known ligand 0.45

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Known targets — ChEMBL curated mechanism

ACVR1ADORA1ADORA2AADORA2BADORA3ESR1ESR2FLT3GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSC1HRH1HTR7IDH1IDH2IRAK1JAK1JAK2JAK3MEN1OPRM1P2RX3PDE5ASCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASIGMAR1SLC6A2SYKTACR1TOP2ATYK2

The experimentally established mechanism targets of Citric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
SARM1 Q6SZW1 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
SIRT4 Q9Y6E7 1/20 0.45
ALDH1A1 P00352 1/20 0.35
APP P05067 1/20 0.35
GAA P10253 1/20 0.35
HCAR3 P49019 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
TBXAS1 P24557 10/20 0.34
PLOD2 O00469 2/20 0.34
PLOD3 O60568 1/20 0.34
PLOD1 Q02809 1/20 0.34
LMNA P02545 2/20 0.34
MKNK1 Q9BUB5 1/20 0.33

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
Xylose SCHEMBL938610 0.88 F7 (0.58) F7F3SARM1SIRT2SIRT6
Xylose SCHEMBL23925306 0.88 F7 (0.58) F7F3SARM1SIRT2SIRT6
Xylose SCHEMBL20423632 0.87 F7 (0.56) F7F3SARM1SIRT2SIRT6
Xylose SCHEMBL28724079 0.87 F7 (0.56) F7F3SARM1SIRT2SIRT6
Cadaverine Tartrate SCHEMBL28825318 0.85 F7 (0.51) F7F3SARM1SIRT2SIRT6
Xylose SCHEMBL28825332 0.85 F7 (0.51) F7F3SARM1SIRT2SIRT6
Demannose SCHEMBL27666893 0.85 F7 (0.56) F7F3SARM1SIRT2SIRT6
Xylose SCHEMBL23706155 0.84 F7 (0.52) F7F3SARM1SIRT2SIRT6
Citric Acid SCHEMBL5352836 0.83 F7 (0.65) F7F3SARM1SIRT2SIRT6
Xylose SCHEMBL28724080 0.81 F7 (0.47) F7F3SARM1SIRT2SIRT6

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
CN-114933621-A Organic acid salt of nicotinamide ribose, and crystal form, preparation method and application thereof 深圳市迪克曼生物科技有限公司 2022-08-23 CN disclosed