Citric Acid

Citric Acid

SCHEMBL27486294

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

nearest known ligand 0.58

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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 20)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 4/20 0.54
SIGMAR1 known ✓ Q99720 1/20 0.43
KDM4E B2RXH2 5/20 0.58
MAPT P10636 2/20 0.55
CYP2D6 P10635 6/20 0.54
LMNA P02545 5/20 0.54
CYP1A2 P05177 5/20 0.54
KMT2A Q03164 4/20 0.54
TP53 P04637 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.45
CYP3A4 P08684 3/20 0.44
HIF1A Q16665 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.42

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
Butetamate SCHEMBL317018 0.73 KDM4E (1.00) KDM4EMAPTCYP2D6LMNACYP1A2
SCHEMBL9325583 0.72 KDM4E (0.64) KDM4EMAPTCYP2D6LMNACYP1A2
Citric Acid SCHEMBL9324866 0.71 KDM4E (0.56) KDM4EMAPTCYP2D6LMNACYP1A2
Alverine SCHEMBL352008 0.70 KDM4E (1.00) KDM4EMAPTCYP2D6LMNACYP1A2
Butamirate SCHEMBL636120 0.70 KDM4E (0.88) KDM4EMAPTCYP2D6LMNACYP1A2
Citric Acid SCHEMBL8614814 0.70 KMT2A (0.89) KDM4EMAPTCYP2D6LMNACYP1A2
Citric Acid SCHEMBL8616232 0.70 KMT2A (0.89) KDM4EMAPTCYP2D6LMNACYP1A2
Citric Acid SCHEMBL8614802 0.70 KMT2A (0.89) KDM4EMAPTCYP2D6LMNACYP1A2
Citric Acid SCHEMBL9325567 0.70 CYP1A2 (0.56) KDM4EMAPTCYP2D6LMNACYP1A2
Citric Acid SCHEMBL9323625 0.70 CHRM2 (0.53) KDM4EMAPTCYP2D6LMNACYP1A2

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
CN-1167437-A Method of using triaryl-ethylene derivatives in the treatment and prevention of osteoporosis HOECHST MARION ROUSSEL INC (US) 1997-12-10 CN disclosed