Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 11/20 | 0.44 |
| ▸ | CDK9 | P50750 | 11/20 | 0.44 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.44 |
| ▸ | PLK1 | P53350 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 2/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.39 |
| ▸ | PLK4 | O00444 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3412096 | 0.92 | BRD4 (0.46) | BRD4CDK2CDK9PAK1PLK1 | |
| SCHEMBL3411191 | 0.88 | BRD4 (0.45) | BRD4CDK2CDK9PAK1PLK1 | |
| SCHEMBL4101219 | 0.84 | PAK1 (0.47) | BRD4PAK1 | |
| SCHEMBL3412716 | 0.81 | PAK1 (0.45) | BRD4CDK2CDK9PAK1PLK1 | |
| SCHEMBL3407097 | 0.80 | BRD4 (0.41) | BRD4CDK2CDK9PAK1PLK1 | |
| SCHEMBL3410539 | 0.80 | MAPT (0.43) | BRD4CDK2CDK9PAK1NPC1 | |
| SCHEMBL3412596 | 0.80 | PLK1 (0.42) | BRD4CDK2CDK9PAK1PLK1 | |
| SCHEMBL3409944 | 0.79 | MAPT (0.42) | BRD4CDK2CDK9PAK1NPC1 | |
| SCHEMBL3410218 | 0.78 | IMPDH2 (0.41) | BRD4CDK2CDK9PAK1PLK1 | |
| SCHEMBL3412246 | 0.78 | SYK (0.42) | BRD4CDK2CDK9PAK1NPC1 |
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-2257541-A1 | MODULATORS FOR AMYLOID BETA | F. Hoffmann-La Roche AG (CH) | 2010-12-08 | — | — | EP | disclosed |
| WO-2009103652-A1 | MODULATORS FOR AMYLOID BETA | F. HOFFMANN-LA ROCHE AG (CH) | 2009-08-27 | — | — | WO | disclosed |