Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.51 |
| ▸ | GSK3B | P49841 | 2/20 | 0.51 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28512442 | 0.84 | ACHE (0.53) | ACHEGSK3BMAOAMAOB | |
| SCHEMBL29960864 | 0.84 | ACHE (0.53) | ACHEGSK3BMAOAMAOB | |
| SCHEMBL8549837 | 0.79 | CCR3 (0.63) | — | |
| Hydrochloric Acid SCHEMBL8681764 | 0.77 | CCR3 (0.61) | — | |
| SCHEMBL7520395 | 0.77 | CHRNB2 (0.55) | ACHEGSK3BMAOAMAOB | |
| SCHEMBL7521464 | 0.77 | ACHE (0.52) | ACHEGSK3BMAOAMAOB | |
| SCHEMBL7520899 | 0.77 | CHRNB2 (0.47) | ACHEGSK3BMAOAMAOB | |
| SCHEMBL12192898 | 0.75 | ROCK1 (0.61) | ACHEMAOAMAOB | |
| SCHEMBL7330801 | 0.74 | SLC6A2 (0.60) | ACHEMAOAMAOB | |
| SCHEMBL7296120 | 0.74 | ALDH1A1 (0.65) | ACHE |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112047928-A | Isonicotinamide AChE-GSK3 double inhibitor and preparation method and application thereof | 中国药科大学 | 2020-12-08 | — | — | CN | claimed |
| CN-112047928-B | Isonicotinamide AChE-GSK3 double inhibitor and preparation method and application thereof | 中国药科大学 | 2022-09-23 | — | — | CN | disclosed |
| CN-112047928-A | Isonicotinamide AChE-GSK3 double inhibitor and preparation method and application thereof | 中国药科大学 | 2020-12-08 | — | — | CN | disclosed |