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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 4/20 | 0.50 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | MC4R | P32245 | 1/20 | 0.49 |
| ▸ | RAD52 | P43351 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MLNR | O43193 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Cetalkonium SCHEMBL8157716 | 0.95 | DNM1 (0.60) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 | |
| Benzododecinium SCHEMBL6380727 | 0.95 | DNM1 (0.60) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 | |
| Gluconic Acid SCHEMBL7763720 | 0.91 | DNM1 (0.51) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 | |
| Cadaverine Tartrate SCHEMBL7764538 | 0.88 | DNM1 (0.62) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 | |
| Gluconic Acid SCHEMBL7766117 | 0.88 | DNM1 (0.47) | DNM1MEN1KMT2AMAPK1SMN1; SMN2 | |
| Gluconic Acid SCHEMBL8163558 | 0.87 | LMNA (0.59) | DNM1KMT2AHTTPSMD14HSP90AA1 | |
| Didecyldimethylammonium SCHEMBL997948 | 0.87 | LMNA (0.59) | DNM1KMT2AHTTPSMD14HSP90AA1 | |
| Gluconic Acid SCHEMBL6378781 | 0.87 | LMNA (0.59) | DNM1KMT2AHTTPSMD14HSP90AA1 | |
| Gluconic Acid SCHEMBL8155602 | 0.87 | LMNA (0.59) | DNM1KMT2AHTTPSMD14HSP90AA1 | |
| Gluconic Acid SCHEMBL19327501 | 0.87 | LMNA (0.59) | DNM1KMT2AHTTPSMD14HSP90AA1 |
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 |