Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 13/20 | 0.53 |
| ▸ | HSP90B1 | P14625 | 4/20 | 0.47 |
| ▸ | TRAP1 | Q12931 | 3/20 | 0.47 |
| ▸ | CHKA | P35790 | 5/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.47 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4385992 | 0.96 | HSP90AA1 (0.56) | HSP90AA1HSP90B1TRAP1HSP90AB1PDK1 | |
| SCHEMBL4395463 | 0.92 | HSP90AA1 (0.54) | HSP90AA1HSP90B1TRAP1HSP90AB1PDK1 | |
| SCHEMBL4397076 | 0.91 | HSP90AA1 (0.55) | HSP90AA1HSP90B1TRAP1HSP90AB1PDK1 | |
| SCHEMBL4063737 | 0.87 | PDK1 (0.58) | HSP90AA1HSP90B1TRAP1HSP90AB1PDK1 | |
| SCHEMBL4378118 | 0.86 | HSP90AA1 (0.47) | HSP90AA1HSP90B1TRAP1HSP90AB1PDK1 | |
| SCHEMBL4392534 | 0.82 | HSP90AA1 (0.46) | HSP90AA1HSP90B1TRAP1HSP90AB1PDK1 | |
| SCHEMBL13848453 | 0.82 | KDM4E (0.45) | HSP90AA1CHKAKDM4E | |
| SCHEMBL4065747 | 0.81 | CHKA (0.48) | CHKAKDM4E | |
| SCHEMBL4064716 | 0.79 | HSP90AA1 (0.41) | HSP90AA1HSP90B1TRAP1HSP90AB1PDK1 | |
| SCHEMBL28701266 | 0.78 | S1PR1 (0.41) | HSP90AA1HSP90B1TRAP1HSP90AB1PDK1 |
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-2009066060-A2 | 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE | TOPOTARGET A/S (DK) | 2009-05-28 | — | — | WO | disclosed |