Citric Acid

Citric Acid

SCHEMBL28566996

NCO.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.79

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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 0.38
▸ ALDH1A1 P00352 2/20 0.79
▸ GLRA1 P23415 1/20 0.45
▸ SLC6A9 P48067 1/20 0.45
▸ OR51E2 Q9H255 1/20 0.45
▸ HMGCR P04035 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ TSHR P16473 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ACLY P53396 4/20 0.39
▸ SLC13A5 Q86YT5 3/20 0.39
▸ CPT2 P23786 1/20 0.38

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 SCHEMBL712971 0.95 ALDH1A1 (0.79) ALDH1A1GLRA1SLC6A9OR51E2HMGCR
Citric Acid SCHEMBL23529151 0.92 ALDH1A1 (0.75) ALDH1A1GLRA1SLC6A9OR51E2HMGCR
Citric Acid SCHEMBL5322801 0.92 ALDH1A1 (0.75) ALDH1A1GLRA1SLC6A9OR51E2HMGCR
Citric Acid SCHEMBL27493316 0.92 ALDH1A1 (0.75) ALDH1A1GLRA1SLC6A9OR51E2HMGCR
Citric Acid SCHEMBL23529090 0.92 ALDH1A1 (0.75) ALDH1A1GLRA1SLC6A9OR51E2HMGCR
Citric Acid SCHEMBL23529156 0.92 ALDH1A1 (0.75) ALDH1A1GLRA1SLC6A9OR51E2HMGCR
Citric Acid SCHEMBL23529120 0.92 ALDH1A1 (0.75) ALDH1A1GLRA1SLC6A9OR51E2HMGCR
Citric Acid SCHEMBL23529273 0.92 ALDH1A1 (0.75) ALDH1A1GLRA1SLC6A9OR51E2HMGCR
Citric Acid SCHEMBL23529228 0.92 ALDH1A1 (0.75) ALDH1A1GLRA1SLC6A9OR51E2HMGCR
Citric Acid SCHEMBL23529145 0.92 ALDH1A1 (0.75) ALDH1A1GLRA1SLC6A9OR51E2HMGCR

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
CN-112649552-A Method for measuring selenium form by using high performance liquid inductively coupled plasma mass spectrometry 南京恒宝田功能农业产业研究院有限公司 2021-04-13 — — CN claimed
CN-112649552-A Method for measuring selenium form by using high performance liquid inductively coupled plasma mass spectrometry 南京恒宝田功能农业产业研究院有限公司 2021-04-13 — — CN disclosed
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