Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 19/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 13/20 | 0.52 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7147894 | 0.93 | ADORA2A (0.54) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL5037312 | 0.92 | ADORA2A (0.53) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL5034128 | 0.89 | ADORA2A (0.54) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL5034182 | 0.88 | ADORA2A (0.49) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL7149310 | 0.87 | ADORA2A (0.58) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL5034125 | 0.86 | ALDH1A1 (0.56) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL7147887 | 0.86 | ADORA2A (0.51) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL8359702 | 0.85 | ADORA2A (0.51) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL8359817 | 0.85 | ADORA2A (0.53) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL5041472 | 0.83 | ADORA2A (0.57) | ADORA2AADORA1ADORA2BADORA3 |
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-6596718-B1 | A compound of formula I has a good affinity to the A2A receptor and is useful for the treatment of diseases mediated by this receptor. | HOFFMANN-LA ROCHE INC. | 2003-07-22 | — | — | US | claimed |
| US-6596718-B1 | A compound of formula I has a good affinity to the A2A receptor and is useful for the treatment of diseases mediated by this receptor. | HOFFMANN-LA ROCHE INC. | 2003-07-22 | — | — | US | disclosed |