Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | LIMK1 | P53667 | 12/20 | 0.45 |
| ▸ | GSK3B | P49841 | 2/20 | 0.45 |
| ▸ | NFATC1 | O95644 | 1/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.45 |
| ▸ | CDC25B | P30305 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | PRKACA | P17612 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.39 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.37 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29191166 | 0.98 | IDO1 (0.46) | MAOAMAOBIDO1LIMK1GSK3B | |
| SCHEMBL31301252 | 0.81 | GSK3B (0.59) | MAOAMAOBIDO1LIMK1GSK3B | |
| SCHEMBL16456555 | 0.77 | GPBAR1 (0.49) | MAOAMAOBIDO1LIMK1GSK3B | |
| SCHEMBL3954650 | 0.77 | GSK3B (0.45) | MAOAMAOBIDO1LIMK1GSK3B | |
| SCHEMBL18174896 | 0.77 | MAOA (0.47) | MAOAMAOBIDO1LIMK1GPBAR1 | |
| SCHEMBL942740 | 0.77 | CYP2A6 (0.50) | MAOBIDO1 | |
| SCHEMBL29145045 | 0.74 | CYP2A6 (0.48) | MAOBIDO1 | |
| SCHEMBL3306203 | 0.74 | CYP2A6 (0.54) | MAOAMAOBIDO1GSK3BNFATC1 | |
| SCHEMBL20004071 | 0.73 | SLC22A12 (0.51) | GSK3BGAAGPBAR1 | |
| SCHEMBL30679641 | 0.73 | IDO1 (0.43) | MAOAMAOBIDO1LIMK1GSK3B |
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-116568308-A | Heterocyclic SHP2 inhibitor, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2023-08-08 | — | — | CN | disclosed |