Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.68 |
| ▸ | APP | P05067 | 1/20 | 0.68 |
| ▸ | GAA | P10253 | 1/20 | 0.68 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.68 |
| ▸ | KMO | O15229 | 1/20 | 0.47 |
| ▸ | F7 | P08709 | 1/20 | 0.47 |
| ▸ | F3 | P13726 | 1/20 | 0.47 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.47 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.47 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.47 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.47 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.47 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.47 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.47 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.46 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.46 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Niacin SCHEMBL30516116 | 1.00 | ALDH1A1 (0.68) | ALDH1A1HCAR2APPGAAHCAR3 | |
| Benzoic Acid SCHEMBL380582 | 0.85 | NAPRT (0.47) | ALDH1A1HCAR2APPGAAHCAR3 | |
| Benzoic Acid SCHEMBL17495601 | 0.84 | NAPRT (0.54) | ALDH1A1HCAR2APPGAAHCAR3 | |
| Niacin SCHEMBL28292236 | 0.82 | ALDH1A1 (1.00) | ALDH1A1HCAR2APPGAAHCAR3 | |
| Niacin SCHEMBL1433 | 0.82 | — | — | |
| Niacin SCHEMBL30844065 | 0.82 | — | — | |
| Niacin SCHEMBL29396199 | 0.82 | ALDH1A1 (1.00) | ALDH1A1HCAR2APPGAAHCAR3 | |
| Niacin SCHEMBL29349574 | 0.82 | — | — | |
| Niacin SCHEMBL3081560 | 0.82 | ALDH1A1 (1.00) | ALDH1A1HCAR2APPGAAHCAR3 | |
| Niacin SCHEMBL150011 | 0.82 | ALDH1A1 (1.00) | ALDH1A1HCAR2APPGAAHCAR3 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114573562-A | Compound containing nicotinic acid and triazole as well as preparation method and application thereof | 西安交通大学 | 2022-06-03 | — | — | CN | disclosed |