Known targets — ChEMBL curated mechanism
fasrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmB1rpmB2rpmCrpmDrpmErpmFrpmG1rpmG2rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsR1rpsR2rpsSrpsTrpsZ
The experimentally established mechanism targets of Niacinamide. 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 | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.73 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.73 |
| ▸ | SIRT3 | Q9NTG7 | 2/20 | 0.73 |
| ▸ | F7 | P08709 | 1/20 | 0.73 |
| ▸ | F3 | P13726 | 1/20 | 0.73 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.73 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.73 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.73 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.73 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | MC4R | P32245 | 1/20 | 0.70 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.70 |
| ▸ | MC3R | P41968 | 1/20 | 0.70 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | APP | P05067 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Niacinamide SCHEMBL460466 | 0.86 | F7 (1.00) | SIRT2SIRT1SIRT3F7F3 | |
| Niacinamide SCHEMBL19978192 | 0.86 | — | — | |
| Niacinamide SCHEMBL2926 | 0.86 | — | — | |
| Niacinamide SCHEMBL29624874 | 0.86 | — | — | |
| Niacinamide SCHEMBL9065096 | 0.85 | F7 (0.71) | SIRT2SIRT1SIRT3F7F3 | |
| Pyrazinamide SCHEMBL27502782 | 0.85 | TSHR (0.72) | SIRT2SIRT1SIRT3F7F3 | |
| Niacinamide SCHEMBL25366418 | 0.84 | — | — | |
| Niacinamide SCHEMBL9373225 | 0.84 | F7 (0.96) | SIRT2SIRT1SIRT3F7F3 | |
| Niacinamide SCHEMBL11870926 | 0.84 | F7 (0.96) | SIRT2SIRT1SIRT3F7F3 | |
| Niacinamide SCHEMBL6702885 | 0.84 | F7 (0.96) | SIRT2SIRT1SIRT3F7F3 |
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-118146109-A | Method for synthesizing N-trifluoromethyl secondary amide compound from benzoyl isothiocyanate | 南京理工大学 | 2024-06-07 | — | — | CN | disclosed |