Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.83 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.83 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.82 |
| ▸ | NAMPT | P43490 | 3/20 | 0.81 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.81 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.81 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.69 |
| ▸ | RAB9A | P51151 | 5/20 | 0.68 |
| ▸ | NPC1 | O15118 | 4/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.68 |
| ▸ | MEN1 | O00255 | 1/20 | 0.68 |
| ▸ | TP53 | P04637 | 1/20 | 0.68 |
| ▸ | GAA | P10253 | 1/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | HTT | P42858 | 1/20 | 0.66 |
| ▸ | JAK2 | O60674 | 1/20 | 0.66 |
| ▸ | TYK2 | P29597 | 1/20 | 0.66 |
| ▸ | PIM1 | P11309 | 1/20 | 0.65 |
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 | 1.00 | LMNA (0.83) | LMNAHIF1AKCNK3NAMPTROCK2 | |
| Nicotinanilide SCHEMBL8155304 | 0.98 | LMNA (0.81) | LMNAHIF1AKCNK3NAMPTROCK2 | |
| Nicotinanilide SCHEMBL27369687 | 0.94 | LMNA (0.73) | LMNAHIF1AKCNK3NAMPTROCK2 | |
| SCHEMBL1571386 | 0.91 | LMNA (1.00) | LMNAHIF1AKCNK3NAMPTROCK2 | |
| Nicotinanilide SCHEMBL27980002 | 0.91 | LMNA (0.69) | LMNAHIF1AKCNK3NAMPTROCK2 | |
| SCHEMBL167081 | 0.89 | NAMPT (1.00) | LMNAHIF1AKCNK3NAMPTRAB9A | |
| SCHEMBL14880208 | 0.89 | ROCK2 (1.00) | LMNAHIF1AKCNK3NAMPTROCK2 | |
| SCHEMBL7329481 | 0.88 | ROCK2 (0.73) | LMNAHIF1AKCNK3NAMPTROCK2 | |
| Hydrochloric Acid SCHEMBL27890956 | 0.88 | NAMPT (0.97) | LMNAHIF1AKCNK3NAMPTRAB9A | |
| SCHEMBL28276093 | 0.87 | NPC1 (0.70) | 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-115433167-A | Benzo-heterocyclic compound with Snail inhibitory activity, preparation method, pharmaceutical composition and medical application thereof | 中国药科大学 | 2022-12-06 | — | — | CN | claimed |
| CN-115433167-A | Benzo-heterocyclic compound with Snail inhibitory activity, preparation method, pharmaceutical composition and medical application thereof | 中国药科大学 | 2022-12-06 | — | — | CN | disclosed |