Citric Acid

Citric Acid

SCHEMBL28313541

O=C(O)CC(O)(CC(=O)O)C(=O)O.c1ccc(-c2ccccc2)cc1

nearest known ligand 0.69

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 16)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.51
SLC13A5 Q86YT5 10/20 0.69
ALDH1A1 P00352 1/20 0.65
CYP2C9 P11712 1/20 0.55
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
KMT2A Q03164 1/20 0.51
HIF1A Q16665 2/20 0.47
ABCC4 O15439 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
PTGS1 P23219 1/20 0.47
HTT P42858 1/20 0.47
CYP2C19 P33261 1/20 0.45

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 SCHEMBL2075184 0.98 SLC13A5 (0.67) SLC13A5ALDH1A1CYP2C9CYP1A2CYP2D6
Citric Acid SCHEMBL21219125 0.98 SLC13A5 (0.67) SLC13A5ALDH1A1CYP2C9CYP1A2CYP2D6
Citric Acid SCHEMBL27373095 0.96 SLC13A5 (0.65) SLC13A5ALDH1A1CYP2C9CYP1A2CYP2D6
Citric Acid SCHEMBL27805619 0.91 SLC13A5 (0.64) SLC13A5ALDH1A1CYP2C9CYP1A2CYP2D6
Biphenyl SCHEMBL27373094 0.86 SLC13A5 (0.55) SLC13A5ALDH1A1CYP2C9CYP1A2CYP2D6
Citric Acid SCHEMBL1550236 0.86 ALDH1A1 (0.88) SLC13A5ALDH1A1CYP1A2CYP2D6LMNA
Citric Acid SCHEMBL6600942 0.85 ALDH1A1 (0.62) SLC13A5ALDH1A1CYP1A2CYP2D6LMNA
Citric Acid SCHEMBL27466879 0.85 SLC13A5 (0.61) SLC13A5ALDH1A1CYP2C9
Citric Acid SCHEMBL5064884 0.83 ALDH1A1 (0.60) SLC13A5ALDH1A1CYP1A2CYP2D6LMNA
Citric Acid SCHEMBL21145048 0.83 ALDH1A1 (0.60) SLC13A5ALDH1A1CYP1A2CYP2D6LMNA

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-110177592-A Inhaler and airflow adaptor for inhaler 诺尔顿沃特福德有限公司 2019-08-27 CN disclosed