Citric Acid

Citric Acid

SCHEMBL28264671

Nc1cnc2ccccc2c1.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.47

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 0.40
MGAM O43451 1/20 0.47
SLC13A5 Q86YT5 3/20 0.45
RAB9A P51151 3/20 0.45
CFTR P13569 1/20 0.41
KDR P35968 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40

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 SCHEMBL27684271 0.84 MGAM (0.70) MGAMSLC13A5RAB9ACFTRKDR
Trifluoroacetic Acid SCHEMBL30684640 0.81 MGAM (0.53) MGAMRAB9ACFTRKDRALDH1A1
Acetic Acid SCHEMBL7836636 0.79 MGAM (0.57) MGAMRAB9ACFTRKDRALDH1A1
Citric Acid SCHEMBL5874845 0.79 ALDH1A1 (0.53) SLC13A5ALDH1A1KDM4EKMT2ALMNA
Citric Acid SCHEMBL5874858 0.79 ALDH1A1 (0.53) SLC13A5ALDH1A1KDM4EKMT2ALMNA
SCHEMBL27684270 0.78 MGAM (0.50) MGAMSLC13A5RAB9ACFTRKDR
SCHEMBL14678 0.77 CYP1A2 (0.57) MGAMRAB9AALDH1A1KDM4ECYP1A2
SCHEMBL29418017 0.77 CYP1A2 (0.57) MGAMRAB9AALDH1A1KDM4ECYP1A2
Citric Acid SCHEMBL28296321 0.76 ALDH1A1 (0.50) SLC13A5ALDH1A1KDM4EKMT2ALMNA
Citric Acid SCHEMBL21145048 0.76 ALDH1A1 (0.60) SLC13A5ALDH1A1KDM4EKMT2ALMNA

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-106977512-B The method for preparing the smooth free alkali of horse sieve 海门慧聚药业有限公司 2019-01-01 CN disclosed