Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.53 |
| ▸ | GSK3B | P49841 | 2/20 | 0.53 |
| ▸ | MAOA | P21397 | 2/20 | 0.52 |
| ▸ | MAOB | P27338 | 2/20 | 0.52 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.51 |
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 | 1.00 | ACHE (0.53) | ACHEGSK3BMAOAMAOBDCPS | |
| SCHEMBL29960102 | 0.88 | SIGMAR1 (0.55) | ACHEGSK3B | |
| SCHEMBL28514024 | 0.88 | SIGMAR1 (0.55) | ACHEGSK3B | |
| SCHEMBL28514014 | 0.86 | ACHE (0.56) | ACHEGSK3BDCPS | |
| SCHEMBL29960945 | 0.86 | ACHE (0.56) | ACHEGSK3BDCPS | |
| SCHEMBL29961012 | 0.84 | ACHE (0.56) | ACHEGSK3BDCPS | |
| SCHEMBL28506757 | 0.84 | ACHE (0.56) | ACHEGSK3BDCPS | |
| SCHEMBL28514129 | 0.84 | ACHE (0.51) | ACHEGSK3BMAOAMAOB | |
| SCHEMBL8549837 | 0.80 | CCR3 (0.63) | — | |
| Hydrochloric Acid SCHEMBL8681764 | 0.79 | CCR3 (0.61) | — |
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-112047928-B | Isonicotinamide AChE-GSK3 double inhibitor and preparation method and application thereof | 中国药科大学 | 2022-09-23 | — | — | CN | disclosed |