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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Gluconic Acid SCHEMBL27667050 | 1.00 | PDE4A (0.54) | PDE4ACA1CA9LMNAUSP2 | |
| Gluconic Acid SCHEMBL27761011 | 0.94 | PDE4A (0.58) | PDE4ACA1CA9LMNAUSP2 | |
| Mannitol SCHEMBL28217079 | 0.89 | CA1 (0.57) | PDE4ACA1CA9LMNAUSP2 | |
| Adonitol SCHEMBL28232574 | 0.86 | CA1 (0.57) | PDE4ACA1CA9LMNATSHR | |
| Xylitol SCHEMBL3070130 | 0.86 | CA1 (0.57) | PDE4ACA1CA9LMNATSHR | |
| E968 SCHEMBL3028252 | 0.83 | CA1 (0.61) | CA1CA9LMNATSHR | |
| E968 SCHEMBL3028249 | 0.83 | CA1 (0.61) | CA1CA9LMNATSHR | |
| Demannose SCHEMBL27667049 | 0.80 | CA1 (0.46) | CA1CA9LMNAL3MBTL1TDP1 | |
| Glycerin SCHEMBL25397611 | 0.76 | CA1 (0.61) | CA1CA9LMNATSHR | |
| Lactic Acid SCHEMBL28013571 | 0.76 | CA1 (0.52) | CA1CA9LMNATSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100166668-A1 | CT NEGATIVE CONTRAST MEDIUM OF AQUEOUS MATRIX FOR DIGESTIVE TRACT AND THE PREPARATION METHOD THEREOF | SHANGHAI JIAO TONG UNIVERSITY (CN) | 2010-07-01 | — | — | US | claimed |
| EP-2050470-A1 | CT NEGATIVE CONTRAST MEDIUM OF AQUEOUS MATRIX FOR DIGESTIVE TRACT AND THE PREPARATION METHOD THEREOF | Shanghai Jiao Tong University (CN) | 2009-04-22 | — | — | EP | claimed |
| US-8747812-B2 | Aqueous negative contrast medium for CT imaging of the gastrointestinal tract and the preparation method thereof | SHANGHAI JIAO TONG UNIVERSITY, A NOT-FOR-PROFIT ORGANIZATION ORGANIZED UNDER THE LAWS OF CHINA (CN) | 2014-06-10 | — | — | US | disclosed |
| US-20100166668-A1 | CT NEGATIVE CONTRAST MEDIUM OF AQUEOUS MATRIX FOR DIGESTIVE TRACT AND THE PREPARATION METHOD THEREOF | SHANGHAI JIAO TONG UNIVERSITY (CN) | 2010-07-01 | — | — | US | disclosed |
| EP-2050470-A1 | CT NEGATIVE CONTRAST MEDIUM OF AQUEOUS MATRIX FOR DIGESTIVE TRACT AND THE PREPARATION METHOD THEREOF | Shanghai Jiao Tong University (CN) | 2009-04-22 | — | — | EP | disclosed |
| EP-2050470-A1 | CT NEGATIVE CONTRAST MEDIUM OF AQUEOUS MATRIX FOR DIGESTIVE TRACT AND THE PREPARATION METHOD THEREOF | Shanghai Jiao Tong University (CN) | 2009-04-22 | — | — | EP | disclosed |