Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 15/20 | 0.59 |
| ▸ | ADORA1 | P30542 | 14/20 | 0.59 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.49 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 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 | |
|---|---|---|---|---|
| SCHEMBL20392686 | 1.00 | ADORA2A (0.59) | ADORA2AADORA1ADORA2BADORA3MAP4K4 | |
| SCHEMBL21569365 | 0.92 | ADORA2A (0.52) | ADORA2AADORA1ADORA2BADORA3MAP4K4 | |
| SCHEMBL20392542 | 0.89 | ADORA2A (0.56) | ADORA2AADORA1ADORA2BMAP4K4 | |
| SCHEMBL20392590 | 0.88 | ADORA2A (0.59) | ADORA2AADORA1ADORA2BADORA3MAP4K4 | |
| SCHEMBL20392695 | 0.88 | ADORA2A (0.44) | ADORA2AADORA1ADORA2BADORA3MAP4K4 | |
| SCHEMBL20392697 | 0.85 | ADORA2A (0.52) | ADORA2AADORA1ADORA2BADORA3MAP4K4 | |
| SCHEMBL20392684 | 0.85 | ADORA2A (0.52) | ADORA2AADORA1ADORA2BADORA3MAP4K4 | |
| SCHEMBL23692313 | 0.83 | ADORA2A (0.52) | ADORA2AADORA1ADORA2BADORA3MAP4K4 | |
| SCHEMBL20392664 | 0.83 | ADORA2A (0.60) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL20392699 | 0.83 | ADORA2A (0.59) | ADORA2AADORA1ADORA2BADORA3USP2 |
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-113166119-B | Substituted aryl compound and preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-01-05 | — | — | CN | disclosed |