Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 3/20 | 0.63 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.62 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.62 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.62 |
| ▸ | CDK5 | Q00535 | 11/20 | 0.57 |
| ▸ | CDK5R1 | Q15078 | 10/20 | 0.57 |
| ▸ | CCNA2 | P20248 | 9/20 | 0.57 |
| ▸ | CDK2 | P24941 | 9/20 | 0.57 |
| ▸ | CCNA1 | P78396 | 9/20 | 0.57 |
| ▸ | DYRK1A | Q13627 | 7/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.50 |
| ▸ | CCNK | O75909 | 2/20 | 0.48 |
| ▸ | CDK12 | Q9NYV4 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL24966176 | 0.87 | CDK1 (0.69) | CDK1CCNB2CCNB1CCNB3CDK5 | |
| SCHEMBL5196519 | 0.83 | CDK1 (0.55) | CDK1CCNB2CCNB1CCNB3CDK5 | |
| SCHEMBL7094919 | 0.81 | CDK1 (0.60) | CDK1CDK5CDK5R1CCNA2CDK2 | |
| SCHEMBL17628610 | 0.81 | CDK1 (0.79) | CDK1CCNB2CCNB1CCNB3CDK5 | |
| SCHEMBL6817839 | 0.81 | HDAC1 (0.67) | HDAC1HDAC2HDAC8 | |
| SCHEMBL5196618 | 0.81 | CDK1 (0.52) | CDK1CCNB2CCNB1CCNB3CDK5 | |
| SCHEMBL22131204 | 0.79 | CDK5 (0.65) | CDK1CDK5CDK5R1CCNA2CDK2 | |
| SCHEMBL2318905 | 0.79 | CDK1 (0.62) | CDK1CCNB2CCNB1CCNB3CDK5 | |
| SCHEMBL6821041 | 0.79 | CDK1 (0.62) | CDK1CDK5CDK5R1CCNA2CDK2 | |
| SCHEMBL6152647 | 0.78 | CDK1 (0.82) | CDK1CCNB2CCNB1CCNB3CDK5 |
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 |