Citric Acid

Citric Acid

SCHEMBL5874845

O=C(O)CC(O)(CC(=O)O)C(=O)O.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1

nearest known ligand 0.53

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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
MEN1 known ✓ O00255 1/20 0.42
ALDH1A1 P00352 3/20 0.53
SLC13A5 Q86YT5 7/20 0.49
LMNA P02545 4/20 0.46
KDM4E B2RXH2 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
KMT2A Q03164 1/20 0.42
PABPC1 P11940 1/20 0.40
HIF1A Q16665 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.39
PRNP P04156 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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 SCHEMBL5874858 1.00 ALDH1A1 (0.53) ALDH1A1SLC13A5LMNAKDM4ECYP1A2
Citric Acid SCHEMBL28296321 0.97 ALDH1A1 (0.50) ALDH1A1SLC13A5LMNAKDM4ECYP1A2
Citric Acid SCHEMBL28125420 0.88 ALDH1A1 (0.53) ALDH1A1SLC13A5LMNAKDM4EMEN1
Quinoline SCHEMBL28028904 0.83 ALDH1A1 (0.65) ALDH1A1LMNAKDM4EMEN1KMT2A
Benzylic Acid SCHEMBL27306203 0.81 ALDH1A1 (0.57) ALDH1A1LMNAKDM4ECYP2D6MEN1
Citric Acid SCHEMBL2517794 0.80 SLC13A5 (0.49) ALDH1A1SLC13A5LMNAKDM4ECYP1A2
Quinoline SCHEMBL4733766 0.80 ALDH1A1 (0.65) ALDH1A1LMNAKDM4EMEN1KMT2A
Quinoline SCHEMBL5874815 0.80 ALDH1A1 (0.65) ALDH1A1LMNAKDM4EMEN1KMT2A
Quinoline SCHEMBL5874587 0.80 ALDH1A1 (0.65) ALDH1A1LMNAKDM4EMEN1KMT2A
Quinoline SCHEMBL5874979 0.80 ALDH1A1 (0.65) ALDH1A1LMNAKDM4EMEN1KMT2A

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
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed