Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 17/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.43 |
| ▸ | CCNE2 | O96020 | 3/20 | 0.42 |
| ▸ | CDK1 | P06493 | 3/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.42 |
| ▸ | CDK2 | P24941 | 3/20 | 0.42 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.42 |
| ▸ | CDK4 | P11802 | 2/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.42 |
| ▸ | CCND1 | P24385 | 2/20 | 0.42 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.42 |
| ▸ | FLT3 | P36888 | 1/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL590623 | 1.00 | ADORA2A (0.56) | ADORA2AADORA3CCNE2CDK1CCNE1 | |
| SCHEMBL3153933 | 1.00 | ADORA2A (0.56) | ADORA2AADORA3CCNE2CDK1CCNE1 | |
| SCHEMBL590622 | 0.98 | ADORA2A (0.56) | ADORA2AADORA3CCNE2CDK1CCNE1 | |
| SCHEMBL589529 | 0.93 | ADORA2A (0.57) | ADORA2AADORA3CCNE2CDK1CCNE1 | |
| Trifluoroacetic Acid SCHEMBL590621 | 0.91 | ADORA2A (0.63) | ADORA2AADORA3CCNE2CDK1CCNE1 | |
| Trifluoroacetic Acid SCHEMBL3153924 | 0.91 | ADORA2A (0.63) | ADORA2AADORA3CCNE2CDK1CCNE1 | |
| SCHEMBL589528 | 0.91 | ADORA2A (0.57) | ADORA2AADORA3CCNE2CDK1CCNE1 | |
| SCHEMBL589277 | 0.89 | ADORA2A (0.54) | ADORA2AADORA3 | |
| SCHEMBL589072 | 0.87 | ADORA2A (0.57) | ADORA2AADORA3CCNE2CDK1CCNE1 | |
| SCHEMBL589276 | 0.87 | ADORA2A (0.54) | ADORA2AADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1841768-B1 | PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2008-11-12 | — | — | EP | disclosed |