Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | TDP2 | O95551 | 2/20 | 0.36 |
| ▸ | TOP2A | P11388 | 1/20 | 0.35 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.35 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 2/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CCKBR | P32239 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2212145 | 0.94 | BRD4 (0.39) | BRD4TDP2TOP2ATOP2BACSS2 | |
| SCHEMBL2213364 | 0.88 | NAMPT (0.36) | BRD4POLBMAPTNAMPTCCKBR | |
| SCHEMBL2214698 | 0.87 | BRD4 (0.38) | BRD4MAPTNAMPTCCKBR | |
| SCHEMBL2213218 | 0.85 | TRPV1 (0.42) | ALDH1A1MAPTHSD17B10NAMPT | |
| SCHEMBL2216183 | 0.85 | ALDH1A1 (0.42) | ALDH1A1POLBMAPTHSD17B10AURKA | |
| SCHEMBL2215529 | 0.84 | ALDH1A1 (0.38) | ALDH1A1POLBMAPTHSD17B10AURKA | |
| SCHEMBL2214770 | 0.84 | NAMPT (0.34) | BRD4ALDH1A1MAPTHSD17B10NAMPT | |
| SCHEMBL2215331 | 0.83 | SRC (0.33) | ALDH1A1AURKBCDK1 | |
| SCHEMBL2215080 | 0.83 | LMNA (0.50) | ALDH1A1POLBMAPTHSD17B10NAMPT | |
| SCHEMBL2884113 | 0.83 | SMN1; SMN2 (0.37) | ALDH1A1POLBMAPTHSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1797096-B1 | PYRAZOLOPYRIMIDINES AS INHIBITORS OF PROTEIN KINASE B (AKT) | BAYER SCHERING PHARMA AG (DE) | 2011-07-27 | — | — | EP | disclosed |