Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 15/20 | 0.61 |
| ▸ | CDK2 | P24941 | 12/20 | 0.61 |
| ▸ | CCNB1 | P14635 | 12/20 | 0.61 |
| ▸ | CCNE1 | P24864 | 9/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | PRKACA | P17612 | 1/20 | 0.52 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.52 |
| ▸ | PRKACG | P22612 | 1/20 | 0.52 |
| ▸ | PRKACB | P22694 | 1/20 | 0.52 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.52 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | PI4KA | P42356 | 1/20 | 0.44 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.44 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21540017 | 0.80 | CDK1 (0.71) | CDK1CDK2CCNB1CCNE1MAPK1 | |
| SCHEMBL18511091 | 0.80 | CDK1 (0.61) | CDK1CDK2CCNB1CCNE1MAPK1 | |
| SCHEMBL15496581 | 0.78 | CDK2 (0.58) | CDK1CDK2CCNB1CCNE1MAPK1 | |
| SCHEMBL7707871 | 0.77 | CDK1 (0.61) | CDK1CDK2CCNB1CCNE1MAPK1 | |
| SCHEMBL6527244 | 0.77 | CDK2 (0.57) | CDK1CDK2CCNB1CCNE1MAPK1 | |
| SCHEMBL756644 | 0.77 | CDK1 (1.00) | CDK1CDK2CCNB1CCNE1MAPK1 | |
| SCHEMBL29611365 | 0.77 | CDK1 (1.00) | CDK1CDK2CCNB1CCNE1MAPK1 | |
| SCHEMBL16080845 | 0.75 | CDK2 (0.73) | CDK1CDK2CCNB1CCNE1MAPK1 | |
| SCHEMBL23641811 | 0.74 | CDK1 (0.71) | CDK1CDK2CCNB1CCNE1MAPK1 | |
| SCHEMBL756290 | 0.74 | CDK2 (0.71) | CDK1CDK2CCNB1CCNE1MAPK1 |
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-1244668-A1 | PURINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND USE THEREOF | UNIVERSITAIRE INSTELLING ANTWERPEN (BE) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001049688-A1 | PURINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND USE THEREOF | UNIVERSITAIRE INSTELLING ANTWERPEN (BE) | 2001-07-12 | — | — | WO | disclosed |