Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 2/20 | 0.58 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.57 |
| ▸ | AURKA | O14965 | 2/20 | 0.57 |
| ▸ | PRKACA | P17612 | 2/20 | 0.57 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.57 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.51 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.51 |
| ▸ | KMO | O15229 | 1/20 | 0.50 |
| ▸ | CDK2 | P24941 | 3/20 | 0.45 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.45 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.45 |
| ▸ | CDK9 | P50750 | 2/20 | 0.45 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.45 |
| ▸ | LARS1 | Q9P2J5 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.44 |
| ▸ | CHUK | O15111 | 1/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8312358 | 0.83 | PLK1 (0.59) | PLK1KMOCDK9KDRALDH1A1 | |
| SCHEMBL4708076 | 0.78 | HSP90AA1 (0.67) | PLK1HSP90AA1AURKAPRKACAADORA2A | |
| SCHEMBL16285520 | 0.78 | PLK1 (0.52) | PLK1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL4202167 | 0.77 | HSP90AA1 (0.76) | HSP90AA1AURKAPRKACAADORA2AHSP90AB1 | |
| SCHEMBL5229810 | 0.76 | HSP90AA1 (0.62) | HSP90AA1AURKAPRKACAADORA2AHSP90AB1 | |
| SCHEMBL6764764 | 0.76 | HSP90AA1 (0.62) | PLK1HSP90AA1AURKAPRKACAADORA2A | |
| SCHEMBL481304 | 0.76 | PRKACA (0.62) | HSP90AA1AURKAPRKACAADORA2AHSP90AB1 | |
| SCHEMBL15650217 | 0.75 | ADORA2A (0.57) | HSP90AA1AURKAPRKACAADORA2AHSP90AB1 | |
| SCHEMBL16285497 | 0.75 | PLK1 (0.50) | PLK1KDRSYKALDH1A1MAPT | |
| SCHEMBL316210 | 0.74 | HSP90AA1 (1.00) | HSP90AA1AURKAPRKACAADORA2AHSP90AB1 |
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-112010844-A | Preparation method and application of N- (pyrimidine-2-yl) coumarin-7-amine derivative as protein kinase inhibitor | 中国药科大学 | 2020-12-01 | — | — | CN | disclosed |