Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 13/20 | 0.69 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.69 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.69 |
| ▸ | CDK1 | P06493 | 3/20 | 0.69 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.69 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.69 |
| ▸ | CDK4 | P11802 | 1/20 | 0.69 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.69 |
| ▸ | CCND1 | P24385 | 1/20 | 0.69 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.69 |
| ▸ | CDK2 | P24941 | 1/20 | 0.69 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.69 |
| ▸ | PPARG | P37231 | 2/20 | 0.67 |
| ▸ | PPARD | Q03181 | 2/20 | 0.67 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL6817805 | 0.90 | ADORA3 (0.68) | ADORA3ADORA2AADORA1CDK1PPARG | |
| SCHEMBL6818091 | 0.88 | CTSL (0.75) | ADORA3ADORA2AADORA1CDK1CCNB2 | |
| SCHEMBL5193780 | 0.88 | ADORA3 (0.67) | ADORA3ADORA2AADORA1PPARGPPARD | |
| SCHEMBL5197254 | 0.88 | ADORA3 (0.67) | ADORA3ADORA2AADORA1PPARGPPARD | |
| SCHEMBL5193141 | 0.87 | CDK1 (0.78) | ADORA3ADORA2AADORA1CDK1CCNB2 | |
| SCHEMBL448537 | 0.86 | ADORA3 (0.67) | ADORA3ADORA2AADORA1PPARGPPARD | |
| SCHEMBL5197866 | 0.85 | CDK1 (0.59) | ADORA3ADORA2AADORA1CDK1PPARD | |
| SCHEMBL6820811 | 0.85 | CTSL (0.60) | ADORA3ADORA2AADORA1CDK1CCNB2 | |
| SCHEMBL6817715 | 0.83 | CTSL (0.76) | ADORA3ADORA2AADORA1CDK1CCNB2 | |
| SCHEMBL6821053 | 0.82 | CDK1 (0.63) | ADORA3ADORA2AADORA1CDK1CCNB2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1128149-C | 6,9-Disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines | AVENTIS PHARMA INC (US) | 2003-11-19 | — | — | CN | disclosed |
| CN-1291983-A | 6,9-Disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines | AVENTIS PHARMA INC (US) | 2001-04-18 | — | — | CN | disclosed |