Citric Acid

Citric Acid

SCHEMBL7415645

FCc1ccc(OC[C@H]2CCN2)cn1.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.55

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 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.48
CHRNA4 P43681 3/20 0.48
CHRNA3 P32297 3/20 0.48
CHRNA7 P36544 3/20 0.48
CHRNB4 P30926 2/20 0.48
CHRNA1 P02708 1/20 0.43
CHRNG P07510 1/20 0.43
CHRNB1 P11230 1/20 0.43
CHRND Q07001 1/20 0.43

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 SCHEMBL7403694 1.00 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
Citric Acid SCHEMBL7465133 0.90 CHRNA3 (0.49) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
SCHEMBL7465136 0.86 CHRNA3 (0.46) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
Citric Acid SCHEMBL7413086 0.81 CHRNA3 (0.50) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
Citric Acid SCHEMBL7411568 0.79 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
Citric Acid SCHEMBL7407586 0.75 CHRNB2 (0.46) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
Citric Acid SCHEMBL7670396 0.75 CHRNB2 (0.46) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
Citric Acid SCHEMBL7408885 0.74 CHRNB2 (0.44) CHRNB2CHRNA4
Citric Acid SCHEMBL6585267 0.74 CHRNB4 (0.48) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4
Citric Acid SCHEMBL7403867 0.73 CHRNB2 (0.43) CHRNB2CHRNA4

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-1047690-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2000-11-02 EP disclosed
WO-1999032480-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1999-07-01 WO disclosed