Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 3/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL20435013 | 0.93 | ADORA3 (0.45) | ADORA2BADORA3ADORA1SLC29A1 | |
| SCHEMBL26292114 | 0.93 | ADORA3 (0.45) | ADORA2BADORA3ADORA1SLC29A1 | |
| SCHEMBL20435000 | 0.93 | ADORA3 (0.45) | ADORA2BADORA3ADORA1SLC29A1 | |
| SCHEMBL24505728 | 0.90 | ADORA1 (0.49) | ADORA2BADORA3ADORA1TSHRADORA2A | |
| SCHEMBL24505731 | 0.89 | ADORA3 (0.48) | ADORA2BADORA3ADORA1TSHRADORA2A | |
| SCHEMBL26292145 | 0.88 | PI4KA (0.56) | ADORA3ADORA1SLC29A1 | |
| SCHEMBL20435006 | 0.88 | PI4KA (0.56) | ADORA3ADORA1SLC29A1 | |
| SCHEMBL20435009 | 0.88 | PI4KA (0.56) | ADORA3ADORA1SLC29A1 | |
| SCHEMBL20434991 | 0.86 | SLC29A1 (0.48) | ADORA3ADORA1SLC29A1 | |
| SCHEMBL20435023 | 0.86 | SLC29A1 (0.48) | ADORA3TSHRSLC29A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3573996-B1 | COMPOUND WITH ANALGESIC EFFECT FOR USE IN PREVENTION AND TREATMENT OF PAIN | ACADEMIA SINICA (TW) | 2022-06-15 | — | — | EP | disclosed |