Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | F7 | P08709 | 1/20 | 0.52 |
| ▸ | F3 | P13726 | 1/20 | 0.52 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.52 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.52 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.52 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.52 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.52 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.52 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | NNMT | P40261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Methyl Nicotinate SCHEMBL28332988 | 0.88 | ALDH1A1 (0.57) | ALDH1A1KMT2AMAPK1KDM4EL3MBTL1 | |
| Methyl Nicotinate SCHEMBL29126558 | 0.87 | ALDH1A1 (0.58) | ALDH1A1KMT2AMAPK1MKNK1MKNK2 | |
| Methyl Nicotinate SCHEMBL21295593 | 0.85 | ALDH1A1 (0.62) | ALDH1A1F7F3SARM1SIRT2 | |
| Methyl Nicotinate SCHEMBL28657691 | 0.84 | ALDH1A1 (0.83) | ALDH1A1F7F3SARM1SIRT2 | |
| Methyl Nicotinate SCHEMBL28331380 | 0.84 | ALDH1A1 (0.54) | ALDH1A1KMT2AMAPK1HSD17B10THRB | |
| SCHEMBL1317978 | 0.83 | MAPK1 (0.59) | ALDH1A1KMT2AMAPK1KDM4EL3MBTL1 | |
| Methyl Benzoate SCHEMBL28765090 | 0.79 | ALDH1A1 (0.73) | ALDH1A1F7F3SARM1SIRT2 | |
| SCHEMBL2516351 | 0.79 | NNMT (0.55) | F7F3SARM1SIRT2SIRT6 | |
| SCHEMBL29447043 | 0.79 | NNMT (0.55) | F7F3SARM1SIRT2SIRT6 | |
| Methyl Nicotinate SCHEMBL28281981 | 0.77 | ALDH1A1 (0.86) | ALDH1A1F7F3SARM1SIRT2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110573496-B | N- (4-pyridyl) nicotinamide compound or salt thereof | 石原产业株式会社 | 2023-10-24 | — | — | CN | claimed |
| CN-110573496-B | N- (4-pyridyl) nicotinamide compound or salt thereof | 石原产业株式会社 | 2023-10-24 | — | — | CN | disclosed |
| CN-110573496-A | N- (4-pyridyl) nicotinamide compounds or salts thereof | 石原产业株式会社 | 2019-12-13 | — | — | CN | disclosed |