Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90B1 | P14625 | 16/20 | 0.62 |
| ▸ | TRAP1 | Q12931 | 5/20 | 0.60 |
| ▸ | HSP90AA1 | P07900 | 8/20 | 0.57 |
| ▸ | HSP90AB1 | P08238 | 7/20 | 0.50 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28455587 | 0.78 | HSP90B1 (0.77) | HSP90B1TRAP1HSP90AA1HSP90AB1ERBB2 | |
| SCHEMBL16487455 | 0.77 | HSP90B1 (0.76) | HSP90B1TRAP1HSP90AA1HSP90AB1ERBB2 | |
| SCHEMBL17900181 | 0.77 | HSP90B1 (0.74) | HSP90B1TRAP1HSP90AA1HSP90AB1ERBB2 | |
| SCHEMBL16486667 | 0.77 | HSP90B1 (1.00) | HSP90B1TRAP1HSP90AA1HSP90AB1ERBB2 | |
| SCHEMBL17897925 | 0.76 | HSP90B1 (1.00) | HSP90B1TRAP1HSP90AA1HSP90AB1ERBB2 | |
| SCHEMBL17897913 | 0.76 | HSP90B1 (0.72) | HSP90B1TRAP1HSP90AA1HSP90AB1ERBB2 | |
| SCHEMBL16486891 | 0.76 | HSP90B1 (0.69) | HSP90B1TRAP1HSP90AA1HSP90AB1ERBB2 | |
| SCHEMBL17897903 | 0.75 | HSP90B1 (0.89) | HSP90B1TRAP1HSP90AA1HSP90AB1ERBB2 | |
| SCHEMBL16512972 | 0.74 | HSP90B1 (1.00) | HSP90B1TRAP1HSP90AA1HSP90AB1ERBB2 | |
| SCHEMBL29421400 | 0.74 | HSP90B1 (1.00) | HSP90B1TRAP1HSP90AA1HSP90AB1ERBB2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105899503-B | Selective GRP94 inhibitors and uses thereof | 纪念斯隆-凯特琳癌症中心 | 2020-08-18 | — | — | CN | disclosed |