Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MELK | Q14680 | 4/20 | 0.61 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 4/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP4 | P49662 | 1/20 | 0.38 |
| ▸ | CASP5 | P51878 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28218572 | 1.00 | MELK (0.61) | MELKDRD2DRD3MEN1KMT2A | |
| SCHEMBL22013243 | 0.80 | MAPK8 (0.47) | MELKMAP4K4MAPK8CYP2D6CYP2C19 | |
| SCHEMBL16336836 | 0.76 | MELK (1.00) | MELKDYRK1A | |
| SCHEMBL16336832 | 0.76 | MELK (1.00) | MELKDYRK1A | |
| SCHEMBL1089479 | 0.74 | CXCR4 (0.64) | MELKDRD2DRD3MAPK8CASP1 | |
| SCHEMBL23837044 | 0.73 | MAP4K4 (0.50) | MELKMAP4K4CXCR4 | |
| SCHEMBL22013250 | 0.71 | MAP4K4 (0.45) | MAP4K4CXCR4 | |
| SCHEMBL1089927 | 0.70 | CXCR4 (0.63) | MELKDRD2DRD3MAPK8CASP1 | |
| SCHEMBL1091382 | 0.69 | CXCR4 (0.64) | MELKDRD2DRD3MAPK8CASP1 | |
| SCHEMBL1088503 | 0.69 | CXCR4 (0.64) | MELKDRD2DRD3MAPK8CXCR4 |
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-104968345-B | 1, 5-naphthyridine derivatives and ME L K inhibitors containing 1, 5-naphthyridine derivatives | 肿瘤疗法科学股份有限公司 | 2018-05-08 | — | — | CN | disclosed |