Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.60 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.60 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.60 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.60 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.60 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.60 |
| ▸ | PI4KA | P42356 | 1/20 | 0.58 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.58 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.58 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.58 |
| ▸ | AHCY | P23526 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.57 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL13901807 | 0.89 | ADORA3 (0.71) | ADORA3ADORA2AADORA2BADORA1HSP90AA1 | |
| SCHEMBL13689761 | 0.89 | ADORA3 (0.71) | ADORA3ADORA2AADORA2BADORA1HSP90AA1 | |
| SCHEMBL22354943 | 0.87 | PI4KA (0.59) | ADORA3ADORA2AADORA2BADORA1HSP90AA1 | |
| SCHEMBL22342582 | 0.85 | PI4KA (0.59) | ADORA3ADORA2AADORA2BADORA1HSP90AA1 | |
| SCHEMBL29417473 | 0.85 | PI4KA (0.59) | ADORA3ADORA2AADORA2BADORA1HSP90AA1 | |
| SCHEMBL20925696 | 0.84 | ADORA3 (0.69) | ADORA3ADORA2AADORA2BADORA1HSP90AA1 | |
| SCHEMBL20925712 | 0.84 | ADORA3 (0.69) | ADORA3ADORA2AADORA2BADORA1HSP90AA1 | |
| SCHEMBL22332144 | 0.84 | ADORA3 (0.69) | ADORA3ADORA2AADORA2BADORA1HSP90AA1 | |
| SCHEMBL22354823 | 0.83 | PI4KA (0.69) | ADORA3ADORA2AADORA2BADORA1HSP90AA1 | |
| SCHEMBL17297709 | 0.83 | PI4KA (0.58) | ADORA3ADORA2AADORA2BADORA1HSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020165432-A1 | 3,6-DISUBSTITUTED-2-PYRIDINALDOXIME SCAFFOLDS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2020-08-20 | — | — | WO | disclosed |