Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 12/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 12/20 | 0.44 |
| ▸ | HSP90B1 | P14625 | 5/20 | 0.39 |
| ▸ | TRAP1 | Q12931 | 4/20 | 0.39 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 6/20 | 0.35 |
| ▸ | JAK3 | P52333 | 6/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4581531 | 0.82 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL4781884 | 0.74 | HSP90AA1 (0.39) | HSP90AA1HSP90AB1HSP90B1TRAP1CXCR2 | |
| SCHEMBL12468339 | 0.72 | EML4 (0.46) | CXCR2PDE4BJAK1JAK3 | |
| SCHEMBL4581063 | 0.70 | HSP90AA1 (0.41) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL14252128 | 0.68 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL29229026 | 0.67 | CXCR2 (0.51) | HSP90AA1HSP90AB1CXCR2PDE4BJAK1 | |
| SCHEMBL17766551 | 0.66 | JAK1 (0.53) | CXCR2PDE4BJAK1JAK3 | |
| SCHEMBL17646444 | 0.64 | CHRNB4 (0.49) | PDE4B | |
| SCHEMBL3631396 | 0.64 | HSP90AB1 (0.58) | HSP90AA1HSP90AB1HSP90B1TRAP1PDE4B | |
| SCHEMBL3683008 | 0.64 | PDE4B (0.47) | HSP90AA1HSP90AB1CXCR2PDE4BJAK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008024961-A1 | DIHYDROPYRIDAZINE, TETRAHYDROPYRIDINE, CHROMANONE, AND DIHYDRONAPHTHALENONE DERIVATIVES AS HEAT-SHOCK PROTEIN 90 INHIBITORS | SERENEX, INC. (US) | 2008-02-28 | — | — | WO | disclosed |