Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.65 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.65 |
| ▸ | PPARD | Q03181 | 1/20 | 0.65 |
| ▸ | CDK1 | P06493 | 5/20 | 0.59 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.56 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.55 |
| ▸ | CDK2 | P24941 | 2/20 | 0.55 |
| ▸ | CTSL | P07711 | 2/20 | 0.55 |
| ▸ | NT5E | P21589 | 2/20 | 0.53 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.51 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.51 |
| ▸ | CDK4 | P11802 | 1/20 | 0.51 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.51 |
| ▸ | CCND1 | P24385 | 1/20 | 0.51 |
| ▸ | FLT3 | P36888 | 1/20 | 0.51 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.51 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1355064 | 0.89 | CDK1 (0.69) | ADORA3ADORA2APPARDCDK1ADORA1 | |
| SCHEMBL6821039 | 0.89 | ADORA3 (0.69) | ADORA3ADORA2APPARDCDK1ADORA1 | |
| SCHEMBL8179514 | 0.89 | ADORA3 (0.60) | ADORA3ADORA2ACDK1ADORA1CCNE1 | |
| SCHEMBL1352876 | 0.89 | CDK1 (0.68) | ADORA3ADORA2APPARDCDK1ADORA1 | |
| SCHEMBL6945844 | 0.89 | ADORA3 (0.69) | ADORA3ADORA2APPARDCDK1ADORA1 | |
| SCHEMBL6820585 | 0.88 | CDK1 (0.57) | ADORA3ADORA2APPARDCDK1ADORA1 | |
| SCHEMBL6944125 | 0.87 | ADORA3 (0.68) | ADORA3ADORA2ACDK1ADORA1CCNE1 | |
| SCHEMBL5193141 | 0.87 | CDK1 (0.78) | ADORA3ADORA2ACDK1ADORA1CCNE1 | |
| SCHEMBL1352692 | 0.85 | CDK1 (0.63) | ADORA3ADORA2APPARDCDK1ADORA1 | |
| SCHEMBL25022492 | 0.83 | CDK1 (0.52) | ADORA3ADORA2APPARDCDK1ADORA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1056745-B1 | 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | AVENTIS PHARMA INC (US) | 2004-06-16 | — | — | EP | disclosed |
| US-6413974-B1 | INHIBITORS OF CYCLIN DEPENDENT KINASES, PARTICULARLY CDK-2; PREVENTING APOPTOSIS IN NEURONAL CELLS; ANTINEOPLASTIC AGENTS; NEURONAL INJURY AND DEGENERATION; CEREBROVASCULAR DISEASE | AVENTIS PHARMACEUTICALS INC. | 2002-07-02 | — | — | US | disclosed |
| 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 |