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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 2/20 | 0.32 |
| ▸ | PTGES | O14684 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Gluconic Acid SCHEMBL7764369 | 0.91 | PDE4A (0.44) | PDE4ACSNK1EGPR84FFAR1 | |
| Cadaverine Tartrate SCHEMBL7764905 | 0.89 | CSNK1E (0.40) | CSNK1ECNR2GPR84FFAR1PPARG | |
| Gluconic Acid SCHEMBL7766113 | 0.87 | PDE4A (0.42) | PDE4ACSNK1EGPR84FFAR1ALDH1A1 | |
| Lactic Acid SCHEMBL7768064 | 0.85 | CSNK1E (0.41) | CSNK1ECNR2GPR84FFAR1PPARG | |
| Acetic Acid SCHEMBL7764388 | 0.83 | CNR2 (0.42) | CSNK1ECNR2PPARGEPHX2ALDH1A1 | |
| Succinic Acid SCHEMBL7764866 | 0.81 | S1PR2 (0.41) | CNR2FFAR1PPARGEPHX2PPARA | |
| Malonic Acid SCHEMBL7764459 | 0.81 | CNR2 (0.43) | CNR2PPARGEPHX2PPARA | |
| Adipic Acid SCHEMBL7760675 | 0.79 | FFAR4 (0.47) | PDE4AGPR84FFAR1PPARGALDH1A1 | |
| Cadaverine Tartrate SCHEMBL7764537 | 0.79 | GPR84 (0.44) | CSNK1EGPR84FFAR1 | |
| Hydrochloric Acid SCHEMBL7766063 | 0.79 | GRIN2D (0.43) | CSNK1E |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0825175-B1 | Quaternary ammonium disinfectant | NICCA CHEMICAL CO (JP) | 2001-06-13 | — | — | EP | disclosed |
| EP-0825175-A1 | Quaternary ammonium disinfectant | NICCA CHEMICAL CO., LTD. (JP) | 1998-02-25 | — | — | EP | disclosed |