Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 7/20 | 0.79 |
| ▸ | CDK2 | P24941 | 1/20 | 0.68 |
| ▸ | CDK9 | P50750 | 1/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.61 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.61 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.61 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.61 |
| ▸ | HTR2C | P28335 | 1/20 | 0.61 |
| ▸ | HTR2B | P41595 | 1/20 | 0.61 |
| ▸ | HTR3A | P46098 | 1/20 | 0.61 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.60 |
| ▸ | PPARD | Q03181 | 4/20 | 0.57 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.56 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.56 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.56 |
| ▸ | PDE2A | O00408 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL31072387 | 0.90 | CDK1 (0.78) | CDK1CDK2CDK9KDM4ENPC1 | |
| SCHEMBL1443862 | 0.89 | CDK1 (0.76) | CDK1CDK2CDK9KDM4ENPC1 | |
| SCHEMBL6820864 | 0.89 | CDK1 (0.76) | CDK1KDM4ENPC1MAPTTDP1 | |
| SCHEMBL28771300 | 0.89 | CDK1 (0.76) | CDK1CDK2CDK9KDM4ENPC1 | |
| SCHEMBL28457283 | 0.89 | CDK1 (0.76) | CDK1CDK2CDK9KDM4ENPC1 | |
| SCHEMBL3295975 | 0.89 | CDK2 (0.66) | CDK1CDK2CDK9KDM4ENPC1 | |
| SCHEMBL1400442 | 0.89 | CDK1 (1.00) | CDK1CDK2CDK9KDM4ENPC1 | |
| SCHEMBL1443458 | 0.87 | CDK1 (0.80) | CDK1CDK2CDK9KDM4ENPC1 | |
| SCHEMBL17628586 | 0.86 | CDK1 (0.80) | CDK1CDK2CDK9KDM4ENPC1 | |
| SCHEMBL6152647 | 0.86 | CDK1 (0.82) | CDK1CDK2KDM4ENPC1MAPT |
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 |