Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 14/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 14/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.40 |
| ▸ | HTR2B | P41595 | 3/20 | 0.40 |
| ▸ | TMIGD3 | P0DMS9 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL243701 | 1.00 | ADORA1 (0.41) | ADORA1ADORA3ADORA2AHTR2BTMIGD3 | |
| SCHEMBL242801 | 0.85 | ADORA1 (0.37) | ADORA1ADORA3ADORA2AHTR2BTMIGD3 | |
| SCHEMBL12084902 | 0.83 | ADORA2A (0.49) | ADORA1ADORA3ADORA2AADORA2B | |
| SCHEMBL2091877 | 0.82 | ADORA2A (0.56) | ADORA1ADORA3ADORA2AADORA2B | |
| SCHEMBL2091875 | 0.82 | ADORA2A (0.56) | ADORA1ADORA3ADORA2AADORA2B | |
| SCHEMBL241197 | 0.82 | ADORA2A (0.56) | ADORA1ADORA3ADORA2AADORA2B | |
| SCHEMBL10158794 | 0.81 | ADORA3 (0.53) | ADORA1ADORA3ADORA2A | |
| SCHEMBL8960068 | 0.80 | LMNA (0.41) | ADORA1ADORA3ADORA2AHTR2BTMIGD3 | |
| SCHEMBL239127 | 0.80 | LMNA (0.41) | ADORA1ADORA3ADORA2AHTR2BTMIGD3 | |
| SCHEMBL12003121 | 0.80 | LMNA (0.41) | ADORA1ADORA3ADORA2AHTR2BTMIGD3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1805181-B1 | PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2012-08-29 | — | — | EP | disclosed |
| EP-2292619-A1 | Purine derivatives for use as adenonsin A-2A receptor agonists | Novartis AG (CH) | 2011-03-09 | — | — | EP | disclosed |