Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 3/20 | 0.39 |
| ▸ | BUB1 | O43683 | 1/20 | 0.37 |
| ▸ | RIPK3 | Q9Y572 | 7/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.30 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.30 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.30 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6163503 | 0.90 | PTGS2 (0.40) | BUB1PTGS2ALDH1A1 | |
| SCHEMBL6167206 | 0.86 | METAP2 (0.34) | PTGS2PTGS1 | |
| SCHEMBL6164523 | 0.82 | — | — | |
| SCHEMBL6167609 | 0.82 | CDC7 (0.37) | CDC7BUB1RIPK3CCNE1CDK2 | |
| SCHEMBL6165976 | 0.81 | ADORA1 (0.38) | ALDH1A1 | |
| SCHEMBL6166715 | 0.80 | KCNK3 (0.39) | — | |
| SCHEMBL6163459 | 0.80 | HDAC9 (0.35) | PTGS2ALDH1A1CSNK1DCSNK1E | |
| SCHEMBL6165367 | 0.79 | EEF2K (0.32) | ALDH1A1 | |
| SCHEMBL6167776 | 0.76 | AURKA (0.31) | CDK2PTGS2 | |
| SCHEMBL6167441 | 0.75 | HDAC9 (0.31) | — |
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-1177185-B1 | 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA ITALIA SPA (IT) | 2005-04-20 | — | — | EP | disclosed |
| US-6716856-B1 | CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY | PHARMACIA & TUBJOHN SPA (IT) | 2004-04-06 | — | — | US | disclosed |