Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNB2 | O95067 | 2/20 | 0.48 |
| ▸ | CDK1 | P06493 | 2/20 | 0.48 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.48 |
| ▸ | GSK3B | P49841 | 2/20 | 0.48 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.48 |
| ▸ | DRD2 | P14416 | 7/20 | 0.46 |
| ▸ | DRD1 | P21728 | 7/20 | 0.46 |
| ▸ | DRD5 | P21918 | 7/20 | 0.46 |
| ▸ | DRD3 | P35462 | 6/20 | 0.46 |
| ▸ | DRD4 | P21917 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GMNN | O75496 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL20356899 | 0.86 | MAPK10 (0.46) | CCNB2CDK1CCNB1GSK3BCCNB3 | |
| SCHEMBL31737740 | 0.86 | MAPK10 (0.46) | CCNB2CDK1CCNB1GSK3BCCNB3 | |
| SCHEMBL23636196 | 0.80 | DRD5 (0.64) | DRD2DRD1DRD5DRD3DRD4 | |
| SCHEMBL30009136 | 0.78 | MAPK10 (0.41) | DRD2DRD3 | |
| SCHEMBL30569664 | 0.73 | HTR2A (0.57) | DRD2DRD1DRD5DRD3DRD4 | |
| SCHEMBL30569666 | 0.73 | HTR2A (0.57) | DRD2DRD1DRD5DRD3DRD4 | |
| SCHEMBL1120971 | 0.73 | HTR2A (0.57) | DRD2DRD1DRD5DRD3DRD4 | |
| SCHEMBL10019851 | 0.73 | HTR2A (0.57) | DRD2DRD1DRD5DRD3DRD4 | |
| SCHEMBL20356888 | 0.71 | HTR6 (0.47) | DRD2DRD1DRD5DRD3DRD4 | |
| SCHEMBL6739755 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115340523-B | Compound with ALK inhibitory activity and preparation method and application thereof | 盛世泰科生物医药技术(苏州)股份有限公司 | 2023-12-15 | — | — | CN | disclosed |
| WO-2022237813-A1 | COMPOUND HAVING ALK INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF | 盛世泰科生物医药技术(苏州)有限公司 | 2022-11-17 | — | — | WO | disclosed |
| CN-115340523-A | Compound with ALK inhibitory activity and preparation method and application thereof | 盛世泰科生物医药技术(苏州)有限公司 | 2022-11-15 | — | — | CN | disclosed |