Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
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 | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | APP | P05067 | 1/20 | 0.51 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.51 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.51 |
| ▸ | KMO | O15229 | 1/20 | 0.41 |
| ▸ | PLOD2 | O00469 | 2/20 | 0.40 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.39 |
| ▸ | PLOD1 | Q02809 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | F7 | P08709 | 1/20 | 0.37 |
| ▸ | F3 | P13726 | 1/20 | 0.37 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.37 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.37 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.37 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.37 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.37 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.37 |
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 SCHEMBL29871666 | 0.81 | PLOD2 (0.40) | GAAALDH1A1APPHCAR3HCAR2 | |
| Niacin SCHEMBL811549 | 0.81 | ALDH1A1 (0.55) | GAAALDH1A1APPHCAR3HCAR2 | |
| Potassium Ion SCHEMBL6843939 | 0.77 | CPT2 (0.50) | — | |
| Citric Acid SCHEMBL10608640 | 0.74 | GAA (0.60) | GAAALDH1A1APPHCAR3HCAR2 | |
| Cadaverine Tartrate SCHEMBL219351 | 0.72 | ALDH1A1 (0.78) | GAAALDH1A1APPHCAR3HCAR2 | |
| Niacin SCHEMBL28309821 | 0.72 | ALDH1A1 (0.84) | GAAALDH1A1APPHCAR3HCAR2 | |
| Niacinamide SCHEMBL580103 | 0.72 | F7 (0.55) | GAAALDH1A1APPHCAR3HCAR2 | |
| Niacin SCHEMBL30844065 | 0.72 | — | — | |
| Niacin SCHEMBL29396199 | 0.72 | ALDH1A1 (1.00) | GAAALDH1A1APPHCAR3HCAR2 | |
| Niacin SCHEMBL3081560 | 0.72 | ALDH1A1 (1.00) | GAAALDH1A1APPHCAR3HCAR2 |
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-20070031526-A1 | Topical Deodorant Compositions Based on Hydroxycitric Acid | BIODERM RESEARCH (US) | 2007-02-08 | — | — | US | disclosed |
| US-20040185069-A1 | Hydroxycitric acid derivatives for body slimming and tone firming compositions | GUPTA SHYAM K (US) | 2004-09-23 | — | — | US | disclosed |