Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.78 |
| ▸ | APP | P05067 | 1/20 | 0.78 |
| ▸ | GAA | P10253 | 1/20 | 0.78 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.78 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.78 |
| ▸ | F7 | P08709 | 1/20 | 0.53 |
| ▸ | F3 | P13726 | 1/20 | 0.53 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.53 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.53 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.53 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.53 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.53 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.53 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.53 |
| ▸ | KMO | O15229 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.51 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.51 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
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 SCHEMBL3882265 | 0.90 | ALDH1A1 (0.95) | ALDH1A1APPGAAHCAR3HCAR2 | |
| Niacin SCHEMBL25247085 | 0.90 | ALDH1A1 (0.95) | ALDH1A1APPGAAHCAR3HCAR2 | |
| Niacin SCHEMBL23000891 | 0.89 | ALDH1A1 (0.78) | ALDH1A1APPGAAHCAR3HCAR2 | |
| Niacin SCHEMBL29167280 | 0.88 | ALDH1A1 (0.91) | ALDH1A1APPGAAHCAR3HCAR2 | |
| Niacin SCHEMBL679550 | 0.88 | ALDH1A1 (0.91) | ALDH1A1APPGAAHCAR3HCAR2 | |
| Niacin SCHEMBL18304344 | 0.88 | ALDH1A1 (0.91) | ALDH1A1APPGAAHCAR3HCAR2 | |
| Niacin SCHEMBL11441069 | 0.88 | ALDH1A1 (0.91) | ALDH1A1APPGAAHCAR3HCAR2 | |
| Niacin SCHEMBL28152666 | 0.88 | ALDH1A1 (0.91) | ALDH1A1APPGAAHCAR3HCAR2 | |
| Niacin SCHEMBL1433 | 0.88 | — | — | |
| Niacin SCHEMBL30844065 | 0.88 | — | — |
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-109476658-A | Substituted 5,6,7,8- tetrahydro [1,2,4] triazol [4,3-A] pyridine -3 (2H) -one and 2,5,6,7- tetrahydro -3H- pyrrolo- [2,1-c] [1,2,4] triazole -3- ketone and application thereof | 拜耳公司 | 2019-03-15 | — | — | CN | disclosed |