Citric Acid

Citric Acid

SCHEMBL9052947

O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[NaH].[NaH]

nearest known ligand 0.63

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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 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.63
ALDH1A1 P00352 2/20 0.50
LMNA P02545 3/20 0.46
USP2 O75604 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
ACLY P53396 2/20 0.38
CPT2 P23786 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 2/20 0.36
CYP2C9 P11712 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 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
Gluconic Acid SCHEMBL28106011 0.98 PDE4A (0.66) PDE4AALDH1A1LMNAUSP2SLCO1B1
Citric Acid SCHEMBL3021271 0.98 PDE4A (0.66) PDE4AALDH1A1LMNAUSP2SLCO1B1
Mucic Acid SCHEMBL28083215 0.97 PDE4A (0.63) PDE4AALDH1A1LMNAUSP2SLCO1B1
Citric Acid SCHEMBL10438268 0.97 PDE4A (0.63) PDE4AALDH1A1LMNAUSP2SLCO1B1
Citric Acid SCHEMBL301965 0.97 PDE4A (0.63) PDE4AALDH1A1LMNAUSP2SLCO1B1
Citric Acid SCHEMBL10802994 0.95 PDE4A (0.61) PDE4AALDH1A1LMNAUSP2SLCO1B1
Citric Acid SCHEMBL301655 0.92 PDE4A (0.58) PDE4AALDH1A1LMNAUSP2SLCO1B1
Citric Acid SCHEMBL17513691 0.92 PDE4A (0.58) PDE4AALDH1A1LMNAUSP2SLCO1B1
Gluconic Acid SCHEMBL20876306 0.92 PDE4A (0.58) PDE4AALDH1A1LMNAUSP2SLCO1B1
Gluconic Acid SCHEMBL27650807 0.92 PDE4A (0.58) PDE4AALDH1A1LMNAUSP2SLCO1B1

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-1996003976-A1 TASTEMASKED LIQUID PHARMACEUTICAL DELIVERY SYSTEM KV PHARMACEUTICAL CORPORATION (US) 1996-02-15 WO disclosed