Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 17/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 10/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7146875 | 0.86 | ADORA2A (0.43) | ADORA2AADORA1DHFRCCNA2CDK2 | |
| SCHEMBL7147897 | 0.85 | ADORA2A (0.43) | ADORA2AADORA1DHFRCCNA2CDK2 | |
| SCHEMBL7142558 | 0.84 | ADORA2A (0.46) | ADORA2AADORA1DHFRCCNA2CDK2 | |
| SCHEMBL6449356 | 0.83 | ADORA2A (0.54) | ADORA2AADORA1CCNA2CDK2CCNA1 | |
| SCHEMBL7152635 | 0.81 | ADORA2A (0.49) | ADORA2AADORA1ADORA2B | |
| SCHEMBL7171290 | 0.81 | ADORA2A (0.51) | ADORA2AADORA1CCNA2CDK2CCNA1 | |
| SCHEMBL5046603 | 0.80 | ADORA2A (0.53) | ADORA2AADORA1CCNA2CDK2CCNA1 | |
| SCHEMBL7147379 | 0.78 | ADORA2A (0.49) | ADORA2AADORA1CCNA2CDK2CCNA1 | |
| SCHEMBL7145357 | 0.77 | ADORA2A (0.45) | ADORA2AADORA1ADORA2B | |
| SCHEMBL7150942 | 0.76 | ADORA2A (0.46) | ADORA2AADORA1DHFRADORA2B |
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-1261327-A2 | ADENOSINE RECEPTOR MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2002-12-04 | — | — | EP | disclosed |
| WO-2001062233-A2 | ADENOSINE RECEPTOR MODULATORS | F. HOFFMANN LA ROCHE AG (CH) | 2001-08-30 | — | — | WO | disclosed |