Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | DAPK1 | P53355 | 1/20 | 0.53 |
| ▸ | FLT4 | P35916 | 1/20 | 0.51 |
| ▸ | KDR | P35968 | 1/20 | 0.51 |
| ▸ | FGFR1 | P11362 | 4/20 | 0.46 |
| ▸ | FGFR4 | P22455 | 4/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | PI4KA | P42356 | 1/20 | 0.44 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.44 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.44 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL22533420 | 1.00 | HPGD (0.56) | HPGDDAPK1FLT4KDRFGFR1 | |
| 9-Benzyl-6-Methoxy-9H-Purine SCHEMBL28939425 | 0.83 | HPGD (0.77) | HPGDDAPK1FLT4KDRADORA2A | |
| SCHEMBL29424838 | 0.82 | HDAC6 (0.62) | FGFR1FGFR4ADORA2API4KAPI4K2B | |
| SCHEMBL22533476 | 0.82 | HDAC6 (0.62) | FGFR1FGFR4ADORA2API4KAPI4K2B | |
| SCHEMBL22084386 | 0.81 | ADORA2A (0.47) | DAPK1FGFR1FGFR4ADORA2API4KA | |
| SCHEMBL22533785 | 0.81 | ADORA2A (0.68) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL29424732 | 0.81 | ADORA2A (0.68) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL22533572 | 0.80 | SCN9A (0.45) | — | |
| SCHEMBL22533657 | 0.80 | HPGD (0.37) | HPGDDAPK1FLT4KDRADORA2A | |
| SCHEMBL28717002 | 0.80 | L3MBTL1 (0.41) | HPGDMEN1HTTKMT2A |
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-114040915-A | Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors | 里伯赛恩斯有限责任公司 | 2022-02-11 | — | — | CN | disclosed |