Citric Acid

Citric Acid

SCHEMBL15323749

CCO.CCO.C[N+](C)(C)CCO.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.56

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 19)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.56
LMNA P02545 4/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.43
SLC5A7 Q9GZV3 1/20 0.43
KDM4E B2RXH2 4/20 0.39
TSHR P16473 3/20 0.39
MAPT P10636 2/20 0.39
ALOX15 P16050 1/20 0.39
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
SLC13A5 Q86YT5 4/20 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
Citric Acid SCHEMBL2345400 0.96 ALDH1A1 (0.60) ALDH1A1LMNAMEN1KMT2ACYP3A4
Citric Acid SCHEMBL20456923 0.96 ALDH1A1 (0.60) ALDH1A1LMNAMEN1KMT2ACYP3A4
Citric Acid SCHEMBL5324670 0.94 ALDH1A1 (0.58) ALDH1A1LMNAMEN1KMT2ACYP3A4
Citric Acid SCHEMBL15323421 0.94 ALDH1A1 (0.58) ALDH1A1LMNAMEN1KMT2ACYP3A4
Citric Acid SCHEMBL22443181 0.94 ALDH1A1 (0.58) ALDH1A1LMNAMEN1KMT2ACYP3A4
Citric Acid SCHEMBL27204501 0.93 ALDH1A1 (0.56) ALDH1A1LMNAMEN1KMT2ACYP3A4
Citric Acid SCHEMBL571078 0.88 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2ACYP3A4
Citric Acid SCHEMBL15324017 0.86 ALDH1A1 (0.48) ALDH1A1LMNAMEN1KMT2ACYP3A4
Citric Acid SCHEMBL29658277 0.86 ALDH1A1 (0.48) ALDH1A1LMNAMEN1KMT2ACYP3A4
Citric Acid SCHEMBL28838082 0.86 ALDH1A1 (0.48) ALDH1A1LMNAMEN1KMT2ACYP3A4

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-2836833-A1 PRENATAL SCREENING FOR DOWN SYNDROME AND TRISOMY 18 Wayne State University (US) 2015-02-18 EP disclosed
WO-2013155456-A1 PRENATAL SCREENING FOR DOWN SYNDROME AND TRISOMY 18 WAYNE STATE UNIVERSITY (US) 2013-10-17 WO disclosed