Citric Acid

Citric Acid

SCHEMBL8657221

CCOc1ccccc1Cc1ccnn1C.CNC.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.48

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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 16)

geneUniProtsupporting neighboursconfidence
HTR7 known ✓ P34969 1/20 0.36
LMNA P02545 3/20 0.48
KDM4E B2RXH2 2/20 0.48
SLC13A5 Q86YT5 8/20 0.46
THRB P10828 1/20 0.41
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
Citric Acid SCHEMBL8657218 0.85 KDM4E (0.70) LMNAKDM4ESLC13A5L3MBTL1CYP1A2
Citric Acid SCHEMBL4902056 0.68 KDM4E (0.49) LMNAKDM4ESLC13A5L3MBTL1CYP1A2
Citric Acid SCHEMBL28177656 0.66 KDM4E (0.47) LMNAKDM4ESLC13A5GLAL3MBTL1
Citric Acid SCHEMBL5185028 0.66 KDM4E (0.48) LMNAKDM4ESLC13A5CYP1A2CYP2D6
Phenyltoloxamine SCHEMBL158443 0.65 KDM4E (1.00) LMNAKDM4EL3MBTL1CYP1A2CYP2D6
SCHEMBL1628791 0.63 L3MBTL1 (0.62) KDM4EGLAL3MBTL1HTR7
SCHEMBL20513873 0.63 SLC1A5 (0.46) LMNAKDM4EHIF1A
SCHEMBL7755873 0.63 MAOA (0.40) L3MBTL1P2RX7
SCHEMBL5254664 0.62 L3MBTL1 (0.64) THRBGLAL3MBTL1HTR7CYP1A2
Citric Acid SCHEMBL3454616 0.62 ALDH1A1 (0.79) LMNAKDM4ESLC13A5CYP1A2CYP2D6

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
US-5849931-A Process for separating carbinols LABORATORIOS DEL DR. ESTEVE S.A. (ES) 1998-12-15 US disclosed