Citric Acid

Citric Acid

SCHEMBL5492575

Nc1ccco1.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C1NCCCC1N1C(=O)c2ccccc2C1=O

nearest known ligand 0.54

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
OPRM1 known ✓ P35372 1/20 0.34
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.35
SLC13A5 Q86YT5 2/20 0.34
DDB1 Q16531 8/20 0.34
CRBN Q96SW2 8/20 0.34
IKZF3 Q9UKT9 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CHRM2 P08172 1/20 0.34
CYP1A2 P05177 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PKLR P30613 1/20 0.33
TNF P01375 1/20 0.32
IL1B P01584 1/20 0.32
TBXA2R P21731 1/20 0.32
IKZF1 Q13422 1/20 0.32
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL5023145 0.84 KMT2A (0.33) TSHRGAASLC13A5DDB1CRBN
Citric Acid SCHEMBL3498933 0.74 ALDH1A1 (0.50) TSHRSLC13A5ALDH1A1CYP1A2KDM4E
SCHEMBL845434 0.73 CRBN (0.57) TSHRDDB1CRBNIKZF3ALDH1A1
Thalidomide SCHEMBL30511827 0.73 CRBN (0.67) TSHRDDB1CRBNIKZF3ALDH1A1
SCHEMBL18263933 0.70 CRBN (0.55) TSHRDDB1CRBNIKZF3ALDH1A1
SCHEMBL3125601 0.70 CRBN (0.55) TSHRDDB1CRBNIKZF3ALDH1A1
SCHEMBL9988737 0.67 DDB1 (0.64) TSHRDDB1CRBNIKZF3ALDH1A1
SCHEMBL22845492 0.66 DDB1 (0.53) DDB1CRBN
SCHEMBL2065573 0.66 CRBN (0.65) TSHRDDB1CRBNIKZF3ALDH1A1
SCHEMBL31013981 0.66 CRBN (0.65) TSHRDDB1CRBNIKZF3ALDH1A1

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
WO-2007062198-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY ADVANCED CELL TECHNOLOGY, INC. (US) 2007-05-31 WO disclosed