Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Niacin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.70 |
| ▸ | GAA | P10253 | 2/20 | 0.70 |
| ▸ | APP | P05067 | 1/20 | 0.70 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.70 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.49 |
| ▸ | KMO | O15229 | 1/20 | 0.49 |
| ▸ | F7 | P08709 | 1/20 | 0.49 |
| ▸ | F3 | P13726 | 1/20 | 0.49 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.49 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.49 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.49 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.49 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.49 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.49 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.47 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.47 |
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 SCHEMBL10940061 | 0.90 | ALDH1A1 (0.70) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| Niacin SCHEMBL31324786 | 0.88 | ALDH1A1 (0.78) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| Niacin SCHEMBL28069938 | 0.88 | ALDH1A1 (0.84) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| Niacin SCHEMBL6712322 | 0.88 | ALDH1A1 (0.84) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| Niacin SCHEMBL28400835 | 0.86 | ALDH1A1 (0.81) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| Niacin SCHEMBL27827804 | 0.86 | ALDH1A1 (0.81) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| Niacin SCHEMBL28400834 | 0.86 | ALDH1A1 (0.81) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| Niacin SCHEMBL28257562 | 0.85 | ALDH1A1 (0.72) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| Niacin SCHEMBL11441069 | 0.84 | ALDH1A1 (0.91) | ALDH1A1GAAAPPHCAR3HCAR2 | |
| Niacin SCHEMBL3081560 | 0.84 | ALDH1A1 (1.00) | ALDH1A1GAAAPPHCAR3HCAR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5520828-A | Fabric conditioners derived from pyridine carboxylic acids | LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) | 1996-05-28 | — | — | US | disclosed |
| US-5419843-A | Fabric conditioners derived from pyridine carboxylic acids | LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) | 1995-05-30 | — | — | US | disclosed |