Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.57 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.57 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.57 |
| ▸ | CDK1 | P06493 | 7/20 | 0.54 |
| ▸ | CTSL | P07711 | 3/20 | 0.52 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.51 |
| ▸ | CDK2 | P24941 | 3/20 | 0.51 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.47 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.47 |
| ▸ | CDK4 | P11802 | 1/20 | 0.47 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.47 |
| ▸ | CCND1 | P24385 | 1/20 | 0.47 |
| ▸ | FLT3 | P36888 | 1/20 | 0.47 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PPARD | Q03181 | 1/20 | 0.46 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6820815 | 1.00 | ADORA2A (0.57) | ADORA2AADORA3ADORA1ADORA2BCDK1 | |
| SCHEMBL29664961 | 0.86 | YTHDC1 (0.59) | ADORA2AADORA3ADORA1ADORA2BSMN1; SMN2 | |
| SCHEMBL18587965 | 0.86 | YTHDC1 (0.59) | ADORA2AADORA3ADORA1ADORA2BSMN1; SMN2 | |
| SCHEMBL5193141 | 0.83 | CDK1 (0.78) | ADORA2AADORA3ADORA1CDK1CTSL | |
| SCHEMBL15940963 | 0.82 | CDK2 (0.72) | CDK1CTSLCCNE1CDK2CDK5 | |
| SCHEMBL6821053 | 0.82 | CDK1 (0.63) | ADORA2AADORA3ADORA1CDK1CTSL | |
| SCHEMBL6947804 | 0.82 | ADORA1 (0.43) | ADORA2AADORA3ADORA1ADORA2BCDK1 | |
| SCHEMBL6820915 | 0.81 | ADORA3 (0.57) | ADORA2AADORA3ADORA1ADORA2BCDK1 | |
| SCHEMBL6820754 | 0.81 | CDK2 (0.76) | CDK1CCNE1CDK2CCNB2CCNE2 | |
| SCHEMBL6824209 | 0.81 | ADORA3 (0.65) | ADORA2AADORA3ADORA1CDK1CTSL |
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-1056745-A2 | 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | Aventis Pharmaceuticals Inc. (US) | 2000-12-06 | — | — | EP | disclosed |
| WO-1999043676-A2 | 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | AVENTIS PHARMACEUTICALS INC. (US) | 1999-09-02 | — | — | WO | disclosed |