Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 8/20 | 0.54 |
| ▸ | PI4KA | P42356 | 3/20 | 0.54 |
| ▸ | PI4K2B | Q8TCG2 | 3/20 | 0.54 |
| ▸ | PI4K2A | Q9BTU6 | 3/20 | 0.54 |
| ▸ | PI4KB | Q9UBF8 | 3/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.43 |
| ▸ | EGFR | P00533 | 3/20 | 0.42 |
| ▸ | EP300 | Q09472 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | AHCY | P23526 | 5/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22533785 | 0.88 | ADORA2A (0.68) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL29424732 | 0.88 | ADORA2A (0.68) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL22533675 | 0.87 | EGLN1 (0.42) | AHCY | |
| SCHEMBL29424691 | 0.87 | EGLN1 (0.42) | AHCY | |
| SCHEMBL22533673 | 0.84 | AHCY (0.52) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL29424716 | 0.84 | AHCY (0.52) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL29424838 | 0.75 | HDAC6 (0.62) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL22533661 | 0.75 | EGLN1 (0.44) | AHCY | |
| SCHEMBL22533476 | 0.75 | HDAC6 (0.62) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL29424873 | 0.75 | EGLN1 (0.44) | AHCY |
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 |
|---|---|---|---|---|---|---|---|
| EP-3952995-A1 | BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS | Riboscience LLC (US) | 2022-02-16 | — | — | EP | claimed |
| WO-2020210649-A1 | BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS | RIBOSCIENCE LLC (US) | 2020-10-15 | — | — | WO | claimed |