Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 4/20 | 0.43 |
| ▸ | GSK3A | P49840 | 3/20 | 0.43 |
| ▸ | AURKA | O14965 | 2/20 | 0.43 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.39 |
| ▸ | PRKCQ | Q04759 | 6/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29973315 | 1.00 | GSK3B (0.43) | GSK3BGSK3AAURKAALDH3A1PIN1 | |
| SCHEMBL29973663 | 0.86 | ALDH3A1 (0.44) | GSK3BGSK3AAURKAALDH3A1PIN1 | |
| SCHEMBL28877922 | 0.86 | ALDH3A1 (0.44) | GSK3BGSK3AAURKAALDH3A1PIN1 | |
| SCHEMBL28877911 | 0.84 | GSK3B (0.45) | GSK3BGSK3AAURKAALDH3A1PIN1 | |
| SCHEMBL29974113 | 0.84 | GSK3B (0.45) | GSK3BGSK3AAURKAALDH3A1PIN1 | |
| SCHEMBL29973900 | 0.82 | ROCK1 (0.44) | GRM5SYKROCK1POLB | |
| SCHEMBL29974223 | 0.79 | PIN1 (0.65) | GSK3BGSK3AAURKAALDH3A1PIN1 | |
| SCHEMBL28877935 | 0.79 | PIN1 (0.65) | GSK3BGSK3AAURKAALDH3A1PIN1 | |
| SCHEMBL30173119 | 0.69 | PIN1 (0.53) | GSK3BGSK3AAURKAPIN1MEN1 | |
| SCHEMBL22400838 | 0.68 | PRKCQ (0.79) | GSK3BGSK3ACYP3A4CYP2C9PRKCQ |
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-115141202-A | Pyrimidopyrazinone compounds and uses thereof | 武汉人福创新药物研发中心有限公司 | 2022-10-04 | — | — | CN | disclosed |