Citric Acid

Citric Acid

SCHEMBL986672

CN1C(C)(C)CCCC1(C)C.CN1C(C)(C)CCCC1(C)C.CN1C(C)(C)CCCC1(C)C.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.52

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 1/20 0.33
ALDH1A1 P00352 3/20 0.52
TSHR P16473 4/20 0.51
NFKB1 P19838 2/20 0.51
CYP2C19 P33261 2/20 0.51
KDM4E B2RXH2 4/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2D6 P10635 3/20 0.33
CYP1A2 P05177 2/20 0.33
HIF1A Q16665 2/20 0.33
CYP3A4 P08684 1/20 0.33
PMP22 Q01453 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
KMT2A Q03164 1/20 0.33

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 SCHEMBL986674 1.00 ALDH1A1 (0.52) ALDH1A1TSHRNFKB1CYP2C19KDM4E
Citric Acid SCHEMBL986909 0.86 ALDH1A1 (0.52) ALDH1A1TSHRNFKB1CYP2C19KDM4E
Citric Acid SCHEMBL986910 0.86 ALDH1A1 (0.52) ALDH1A1TSHRNFKB1CYP2C19KDM4E
Citric Acid SCHEMBL987161 0.80 ALDH1A1 (0.48) ALDH1A1TSHRNFKB1CYP2C19KDM4E
Citric Acid SCHEMBL986940 0.80 ALDH1A1 (0.48) ALDH1A1TSHRNFKB1CYP2C19KDM4E
SCHEMBL987164 0.80 ALDH1A1 (0.44) ALDH1A1TSHRNFKB1CYP2C19KDM4E
Citric Acid SCHEMBL987163 0.77 ALDH1A1 (0.54) ALDH1A1TSHRNFKB1CYP2C19KDM4E
Citric Acid SCHEMBL987165 0.77 ALDH1A1 (0.54) ALDH1A1TSHRNFKB1CYP2C19KDM4E
Pempidine SCHEMBL987199 0.75 TSHR (0.69) TSHRNFKB1CYP2C19
Citric Acid SCHEMBL6731419 0.72 ALDH1A1 (0.79) ALDH1A1TSHRCYP2C19KDM4ELMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7862746-B2 Stabilization of natural composites BASF SE. (DE) 2011-01-04 US claimed
US-20060183821-A1 Stabilization of natural composites CIBA CORPORATION 2006-08-17 US claimed
US-7862746-B2 Stabilization of natural composites BASF SE. (DE) 2011-01-04 US disclosed
US-20060183821-A1 Stabilization of natural composites CIBA CORPORATION 2006-08-17 US disclosed