Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 19/20 | 0.79 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.61 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1780170 | 0.88 | ADORA2B (1.00) | ADORA2BADORA1ADORA2A | |
| SCHEMBL14517874 | 0.86 | ADORA2B (0.82) | ADORA2BADORA1ADORA2A | |
| SCHEMBL1222451 | 0.76 | ADORA2B (1.00) | ADORA2BADORA1ADORA2A | |
| SCHEMBL14293825 | 0.76 | ADORA2B (0.81) | ADORA2BADORA1ADORA2A | |
| SCHEMBL1782085 | 0.75 | ADORA2B (0.67) | ADORA2BADORA1ADORA2AALDH1A1 | |
| SCHEMBL1780810 | 0.74 | ADORA2B (1.00) | ADORA2BADORA1ADORA2AADORA3 | |
| SCHEMBL1781047 | 0.74 | ADORA2B (1.00) | ADORA2BADORA1ADORA2A | |
| SCHEMBL1779300 | 0.74 | ADORA2B (1.00) | ADORA2BADORA1ADORA2AADORA3 | |
| SCHEMBL4758458 | 0.67 | ADORA2B (1.00) | ADORA2BADORA1ADORA2AADORA3 | |
| SCHEMBL12265177 | 0.65 | ADORA2B (0.58) | ADORA2BADORA1ADORA2AALDH1A1NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7205403-B2 | 8-Heteroaryl xanthine adenosine A2B receptor antagonists | KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) | 2007-04-17 | — | — | US | disclosed |
| US-7205403-B2 | 8-Heteroaryl xanthine adenosine A2B receptor antagonists | KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) | 2007-04-17 | — | — | US | disclosed |