Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.56 |
| ▸ | GSK3B | P49841 | 2/20 | 0.56 |
| ▸ | CXCR4 | P61073 | 6/20 | 0.55 |
| ▸ | DCPS | Q96C86 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29960945 | 1.00 | ACHE (0.56) | ACHEGSK3BCXCR4DCPSALDH1A1 | |
| SCHEMBL28506757 | 0.87 | ACHE (0.56) | ACHEGSK3BDCPSATM | |
| SCHEMBL29961012 | 0.87 | ACHE (0.56) | ACHEGSK3BDCPSATM | |
| SCHEMBL28512442 | 0.86 | ACHE (0.53) | ACHEGSK3BDCPS | |
| SCHEMBL29960864 | 0.86 | ACHE (0.53) | ACHEGSK3BDCPS | |
| SCHEMBL29960102 | 0.80 | SIGMAR1 (0.55) | ACHEGSK3B | |
| SCHEMBL28514024 | 0.80 | SIGMAR1 (0.55) | ACHEGSK3B | |
| SCHEMBL29767427 | 0.73 | CXCR4 (1.00) | CXCR4ALDH1A1ATM | |
| SCHEMBL29318060 | 0.71 | PARP10 (0.44) | — | |
| SCHEMBL870013 | 0.70 | CXCR4 (0.50) | ACHECXCR4DCPSALDH1A1ATM |
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-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 |