Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 15/20 | 0.55 |
| ▸ | AURKB | Q96GD4 | 12/20 | 0.55 |
| ▸ | GSK3B | P49841 | 8/20 | 0.55 |
| ▸ | SRC | P12931 | 6/20 | 0.55 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.55 |
| ▸ | GSK3A | P49840 | 1/20 | 0.55 |
| ▸ | JAK2 | O60674 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | JAK1 | P23458 | 3/20 | 0.46 |
| ▸ | TYK2 | P29597 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | JAK3 | P52333 | 3/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30250187 | 0.94 | AURKA (0.54) | AURKAAURKBGSK3BSRCEIF2AK2 | |
| SCHEMBL24668009 | 0.94 | AURKA (0.54) | AURKAAURKBGSK3BSRCEIF2AK2 | |
| SCHEMBL28415530 | 0.87 | AURKA (0.40) | AURKAAURKBGSK3BSRCEIF2AK2 | |
| SCHEMBL30250065 | 0.87 | AURKA (0.40) | AURKAAURKBGSK3BSRCEIF2AK2 | |
| SCHEMBL30249999 | 0.86 | PAK1 (0.45) | AURKAAURKBGSK3BSRCEIF2AK2 | |
| SCHEMBL30249931 | 0.86 | AURKA (0.39) | AURKAAURKBGSK3BSRCEIF2AK2 | |
| SCHEMBL30250129 | 0.80 | AURKA (0.38) | AURKAAURKBGSK3BSRCEIF2AK2 | |
| SCHEMBL28416436 | 0.80 | AURKA (0.38) | AURKAAURKBGSK3BSRCEIF2AK2 | |
| SCHEMBL28411553 | 0.79 | RET (0.61) | JAK2 | |
| SCHEMBL30250189 | 0.79 | PAK1 (0.45) | AURKAAURKBGSK3BSRCEIF2AK2 |
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-111285882-B | Fused ring compound, pharmaceutical composition containing same, and preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2022-12-02 | — | — | CN | disclosed |
| CN-111285882-A | Fused ring compound, pharmaceutical composition containing same, and preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2020-06-16 | — | — | CN | disclosed |