Gluconic Acid

Gluconic Acid

SCHEMBL1078281

O.O.O.O.O.O.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Fe+3]

nearest known ligand 0.87

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHESCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9A

The experimentally established mechanism targets of Gluconic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.87
PDE4A P27815 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.50
USP2 O75604 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
OR51E2 Q9H255 1/20 0.39
KDM4E B2RXH2 2/20 0.37
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CA4 P22748 2/20 0.31
TOP1 P11387 1/20 0.31

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
Gluconic Acid SCHEMBL2548636 1.00 LMNA (0.87) LMNAPDE4AL3MBTL1USP2SLCO1B1
Gluconic Acid SCHEMBL3717039 0.98 LMNA (0.91) LMNAPDE4AL3MBTL1USP2SLCO1B1
Gluconic Acid SCHEMBL141069 0.98 LMNA (0.91) LMNAPDE4AL3MBTL1USP2SLCO1B1
Gluconic Acid SCHEMBL3768828 0.98 LMNA (0.91) LMNAPDE4AL3MBTL1USP2SLCO1B1
Gluconic Acid SCHEMBL6653232 0.98 LMNA (0.91) LMNAPDE4AL3MBTL1USP2SLCO1B1
Gluconic Acid SCHEMBL22983955 0.95 LMNA (0.87) LMNAPDE4AL3MBTL1USP2SLCO1B1
Gluconic Acid SCHEMBL721131 0.95 LMNA (0.87) LMNAPDE4AL3MBTL1USP2SLCO1B1
Gluconic Acid SCHEMBL23566696 0.95 LMNA (0.87) LMNAPDE4AL3MBTL1USP2SLCO1B1
Gluconic Acid SCHEMBL21082704 0.95 LMNA (0.87) LMNAPDE4AL3MBTL1USP2SLCO1B1
Gluconic Acid SCHEMBL22442432 0.95 LMNA (0.87) LMNAPDE4AL3MBTL1USP2SLCO1B1

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
US-7871631-B2 Inhibit inflammation for long periods without accompanying serious side effects in the drug therapy to patients with inflammatory bowel syndrome AJINOMOTO CO., INC. (JP) 2011-01-18 US disclosed