Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPC6 | Q9Y210 | 5/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 9/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 8/20 | 0.37 |
| ▸ | CASP6 | P55212 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28094767 | 1.00 | TRPC6 (0.38) | TRPC6NR1H2NR1H3CASP6GFER | |
| SCHEMBL28094397 | 0.87 | MAP4K4 (0.42) | NR1H2NR1H3CASP6GFERHDAC1 | |
| SCHEMBL28094570 | 0.84 | NR1H2 (0.36) | NR1H2NR1H3CASP6GFERMAP4K4 | |
| SCHEMBL23887664 | 0.84 | GFER (0.44) | TRPC6CASP6GFER | |
| SCHEMBL23887667 | 0.84 | GFER (0.44) | TRPC6CASP6GFER | |
| SCHEMBL16824975 | 0.83 | NR1H2 (0.48) | TRPC6NR1H2NR1H3HDAC1MAP4K4 | |
| SCHEMBL18186418 | 0.83 | NR1H2 (0.48) | TRPC6NR1H2NR1H3HDAC1MAP4K4 | |
| SCHEMBL18186416 | 0.83 | NR1H2 (0.48) | TRPC6NR1H2NR1H3HDAC1MAP4K4 | |
| SCHEMBL16570434 | 0.75 | GFER (0.47) | TRPC6CASP6GFER | |
| SCHEMBL16569865 | 0.74 | NR1H2 (0.48) | NR1H2NR1H3CASP6GFERHDAC1 |
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-105829315-B | Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors | 阿尔麦克探索有限公司 | 2019-03-08 | — | — | CN | disclosed |
| CN-105829315-A | Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors | 阿尔麦克探索有限公司 | 2016-08-03 | — | — | CN | disclosed |