Gluconic Acid

Gluconic Acid

SCHEMBL6915249

Cl.NCCCCC(N)C(=O)O.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Fe]

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9A

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 16)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 1/20 0.59
▸ PDE4A P27815 1/20 0.56
▸ USP2 O75604 1/20 0.45
▸ SLCO1B1 Q9Y6L6 1/20 0.45
▸ ARG2 P78540 4/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ARG1 P05089 3/20 0.39
▸ NOS1 P29475 3/20 0.38
▸ NOS2 P35228 3/20 0.38
▸ BLM P54132 1/20 0.38
▸ RNPEP Q9H4A4 1/20 0.38
▸ NOS3 P29474 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CPB2 Q96IY4 1/20 0.35

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 SCHEMBL28851476 0.98 GSR (0.61) GSRPDE4AUSP2SLCO1B1ARG2
Gluconic Acid SCHEMBL28167640 0.97 GSR (0.62) GSRPDE4AUSP2SLCO1B1ARG2
Gluconic Acid SCHEMBL16193997 0.97 GSR (0.62) GSRPDE4AUSP2SLCO1B1ARG2
Gluconic Acid SCHEMBL16194000 0.97 GSR (0.62) GSRPDE4AUSP2SLCO1B1ARG2
Gluconic Acid SCHEMBL27946775 0.96 GSR (0.57) GSRPDE4AUSP2SLCO1B1ARG2
Gluconic Acid SCHEMBL17965945 0.95 GSR (0.61) GSRPDE4AUSP2SLCO1B1ARG2
Mannitol SCHEMBL27929505 0.92 GSR (0.69) GSRPDE4AUSP2SLCO1B1ARG2
Gluconic Acid SCHEMBL17965943 0.92 GSR (0.56) GSRPDE4AUSP2SLCO1B1ARG2
Mannitol SCHEMBL1168590 0.91 GSR (0.71) GSRPDE4AUSP2SLCO1B1ARG2
Galactitol SCHEMBL1167727 0.91 GSR (0.71) GSRPDE4AUSP2SLCO1B1ARG2

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
EP-1407677-A2 Compositions comprising partly-hydrolized fish gelatin and use thereof BIOPROGRESS S.p.A. (IT) 2004-04-14 — — EP disclosed
Send feedback