Citric Acid

Citric Acid

SCHEMBL164689

C1=CNc2ccccc2C=C1.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.42

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 20)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 2/20 0.39
ESR1 known ✓ P03372 1/20 0.34
ESR2 known ✓ Q92731 1/20 0.34
ALDH1A1 P00352 2/20 0.42
SLC13A5 Q86YT5 5/20 0.40
KDM4E B2RXH2 4/20 0.39
LMNA P02545 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 0.39
KMT2A Q03164 2/20 0.39
HIF1A Q16665 2/20 0.34
MAPT P10636 1/20 0.34
GMNN O75496 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL5465747 0.81 CES1 (0.39) MAPTHSD17B10TDP1
Oxalic Acid SCHEMBL8507926 0.80 MAPT (0.39) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL34259 0.76 GAA (0.48) MAPT
Citric Acid SCHEMBL165526 0.76 ALDH1A1 (0.50) ALDH1A1SLC13A5KDM4ELMNACYP1A2
Fumaric Acid SCHEMBL4504232 0.76 ALDH1A1 (0.37) ALDH1A1KDM4ELMNACYP2D6MEN1
Maleic Acid SCHEMBL4504225 0.76 ALDH1A1 (0.37) ALDH1A1KDM4ELMNACYP2D6MEN1
Cadaverine Tartrate SCHEMBL3996515 0.75 GAA (0.34) KDM4ELMNAMAPTTSHRMAPK1
Water SCHEMBL16465946 0.75 GAA (0.46) MAPTHSD17B10
Water SCHEMBL4672877 0.75 GAA (0.46) MAPTHSD17B10
Ammonia Solution, Strong SCHEMBL4151802 0.75 GAA (0.46) MAPT

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
EP-2611449-A1 ADMINISTRATION OF LORCASERIN TO INDIVIDUALS WITH RENAL IMPAIRMENT Arena Pharmaceuticals, Inc. (US) 2013-07-10 EP disclosed
WO-2012030939-A1 ADMINISTRATION OF LORCASERIN TO INDIVIDUALS WITH RENAL IMPAIRMENT ARENA PHARMACEUTICALS, INC. (US) 2012-03-08 WO disclosed