Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90B1 | P14625 | 2/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 16/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.45 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL20117843 | 0.91 | HSP90B1 (0.61) | HSP90B1HSP90AA1HSP90AB1 | |
| SCHEMBL20117878 | 0.88 | HSP90B1 (0.50) | HSP90B1HSP90AA1HSP90AB1TRAP1TP53 | |
| SCHEMBL20117784 | 0.86 | HSP90B1 (0.53) | HSP90B1HSP90AA1HSP90AB1TRAP1TP53 | |
| SCHEMBL20117777 | 0.85 | HSP90B1 (0.49) | HSP90B1HSP90AA1HSP90AB1TRAP1 | |
| SCHEMBL20117973 | 0.83 | HSP90B1 (0.47) | HSP90B1HSP90AA1HSP90AB1TRAP1TP53 | |
| SCHEMBL20117958 | 0.83 | HSP90B1 (0.49) | HSP90B1HSP90AA1HSP90AB1TRAP1 | |
| SCHEMBL20117852 | 0.82 | HSP90B1 (0.69) | HSP90B1HSP90AA1HSP90AB1TRAP1TP53 | |
| SCHEMBL20117982 | 0.82 | HSP90B1 (0.49) | HSP90B1HSP90AA1 | |
| SCHEMBL20117783 | 0.81 | HSP90B1 (0.49) | HSP90B1HSP90AA1HSP90AB1TRAP1TP53 | |
| SCHEMBL20117877 | 0.80 | HSP90B1 (0.61) | HSP90B1HSP90AA1HSP90AB1 |
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-2018081814-A1 | GRP94 SELECTIVE INHIBITORS AND USES THEREOF | UNIVERSITY OF KANSAS (US) | 2018-05-03 | — | — | WO | disclosed |