Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 5/20 | 0.62 |
| ▸ | PI4KA | P42356 | 4/20 | 0.49 |
| ▸ | PI4K2B | Q8TCG2 | 4/20 | 0.49 |
| ▸ | PI4K2A | Q9BTU6 | 4/20 | 0.49 |
| ▸ | PI4KB | Q9UBF8 | 4/20 | 0.49 |
| ▸ | DHFR | P00374 | 2/20 | 0.46 |
| ▸ | CDK1 | P06493 | 2/20 | 0.46 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.46 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.46 |
| ▸ | CDK2 | P24941 | 2/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27870409 | 0.84 | PI4KA (0.70) | XDHPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL27870413 | 0.82 | XDH (0.58) | XDHPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL27886637 | 0.82 | PI4KA (0.64) | XDHPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL28230973 | 0.81 | PI4KA (0.47) | XDHPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL945799 | 0.75 | XDH (0.55) | XDHPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL3648563 | 0.74 | XDH (0.52) | XDHPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL28230093 | 0.74 | CDK1 (0.48) | XDHPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL27870411 | 0.74 | CFTR (0.49) | XDHPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL28298222 | 0.74 | ADORA2A (0.58) | XDHPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL27886646 | 0.74 | CFTR (0.49) | XDHPI4KAPI4K2BPI4K2API4KB |
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-108371662-B | Application of five-membered heterocyclic pyrimidine compound | 中国药科大学 | 2023-03-03 | — | — | CN | claimed |