Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Nicotinanilide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.69 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.69 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.69 |
| ▸ | NAMPT | P43490 | 3/20 | 0.68 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.68 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.68 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.60 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | RAB9A | P51151 | 5/20 | 0.58 |
| ▸ | NPC1 | O15118 | 4/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Nicotinanilide SCHEMBL352439 | 0.91 | LMNA (0.83) | LMNAHIF1AKCNK3NAMPTROCK2 | |
| Nicotinanilide SCHEMBL29067673 | 0.91 | LMNA (0.83) | LMNAHIF1AKCNK3NAMPTROCK2 | |
| Nicotinanilide SCHEMBL8155304 | 0.89 | LMNA (0.81) | LMNAHIF1AKCNK3NAMPTROCK2 | |
| Nicotinanilide SCHEMBL27369687 | 0.85 | LMNA (0.73) | LMNAHIF1AKCNK3NAMPTROCK2 | |
| SCHEMBL25277062 | 0.84 | ALDH1A1 (0.79) | LMNAHIF1ANAMPTROCK2ROCK1 | |
| SCHEMBL1571386 | 0.82 | LMNA (1.00) | LMNAHIF1AKCNK3NAMPTROCK2 | |
| SCHEMBL14880208 | 0.81 | ROCK2 (1.00) | LMNAHIF1AKCNK3NAMPTROCK2 | |
| SCHEMBL167081 | 0.81 | NAMPT (1.00) | LMNAHIF1AKCNK3NAMPTCYP11B1 | |
| SCHEMBL7329481 | 0.80 | ROCK2 (0.73) | LMNAHIF1AKCNK3NAMPTROCK2 | |
| SCHEMBL161057 | 0.80 | CYP3A4 (0.81) | LMNAHIF1AKCNK3NAMPTROCK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104133448-B | Intelligent oncomelania and oncomelania living environment monitoring system based on wireless sensor network | 江西理工大学 | 2017-02-08 | — | — | CN | disclosed |
| CN-104133448-A | Intelligent oncomelania and oncomelania living environment monitoring system based on wireless sensor network | UNIV JIANGXI SCI & TECHNOLOGY | 2014-11-05 | — | — | CN | disclosed |