Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.73 |
| ▸ | F7 | P08709 | 1/20 | 0.69 |
| ▸ | F3 | P13726 | 1/20 | 0.69 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.69 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.69 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.69 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.69 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.69 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.69 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.69 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.53 |
| ▸ | APP | P05067 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.51 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Methyl Nicotinate SCHEMBL28657691 | 0.94 | ALDH1A1 (0.83) | ALDH1A1F7F3SARM1SIRT2 | |
| Benzoyl Peroxide SCHEMBL15140964 | 0.87 | F7 (0.73) | ALDH1A1F7F3SARM1SIRT2 | |
| Niacinamide SCHEMBL15140965 | 0.87 | F7 (0.73) | ALDH1A1F7F3SARM1SIRT2 | |
| Niacinamide SCHEMBL28209434 | 0.85 | F7 (0.76) | ALDH1A1F7F3SARM1SIRT2 | |
| Methyl Nicotinate SCHEMBL28281981 | 0.85 | ALDH1A1 (0.86) | ALDH1A1F7F3SARM1SIRT2 | |
| Methyl Nicotinate SCHEMBL28210706 | 0.85 | ALDH1A1 (0.93) | ALDH1A1F7F3SARM1SIRT2 | |
| Methyl Nicotinate SCHEMBL28108992 | 0.85 | ALDH1A1 (0.93) | ALDH1A1F7F3SARM1SIRT2 | |
| Niacinamide SCHEMBL28248195 | 0.85 | F7 (0.81) | ALDH1A1F7F3SARM1SIRT2 | |
| Methyl Nicotinate SCHEMBL24566 | 0.85 | ALDH1A1 (1.00) | ALDH1A1F7F3SARM1SIRT2 | |
| Methyl Nicotinate SCHEMBL820747 | 0.85 | ALDH1A1 (1.00) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114555619-A | Compounds and compositions for differential modulation of nicotinamide adenine dinucleotide | 麦德龙国际生物科技有限责任公司 | 2022-05-27 | — | — | CN | disclosed |