Citric Acid

Citric Acid

SCHEMBL6023385

O=C(O)C(O)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)C(=O)O

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

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 17)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.42
LMNA P02545 5/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 2/20 0.42
SLC13A5 Q86YT5 3/20 0.40
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ACLY P53396 1/20 0.35
CYP2C19 P33261 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
Citric Acid SCHEMBL8508556 0.91 LMNA (0.62) LMNAMAPK1ALDH1A1KDM4EMEN1
Citric Acid SCHEMBL10336054 0.87 LMNA (0.56) LMNAMAPK1ALDH1A1KDM4EMEN1
Mandelic Acid SCHEMBL3711577 0.86 LMNA (0.69) LMNAMAPK1SMN1; SMN2CYP2D6GABBR2
Citric Acid SCHEMBL27500656 0.83 AKR1B1 (0.49) LMNASMN1; SMN2ALDH1A1KDM4EMEN1
Citric Acid SCHEMBL290601 0.83 ALDH1A1 (0.62) LMNASMN1; SMN2ALDH1A1KDM4EMAPT
Mandelic Acid SCHEMBL3456058 0.82 LMNA (0.62) LMNAMAPK1SMN1; SMN2CYP2D6MAPT
Citric Acid SCHEMBL3647975 0.81 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1ACLY
Citric Acid SCHEMBL28954897 0.81 ALDH1A1 (0.60) LMNASMN1; SMN2ALDH1A1KDM4EMAPT
Citric Acid SCHEMBL6662533 0.81 ALDH1A1 (0.60) LMNASMN1; SMN2ALDH1A1KDM4EMAPT
Citric Acid SCHEMBL28954908 0.81 ALDH1A1 (0.60) LMNASMN1; SMN2ALDH1A1KDM4EMAPT

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
EP-0957080-B1 NOVEL ETHYLAMINE DERIVATIVES FUJIMOTO BROTHERS CO LTD (JP) 2006-06-21 EP disclosed