Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 10/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 9/20 | 0.43 |
| ▸ | HSP90B1 | P14625 | 7/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 7/20 | 0.43 |
| ▸ | TRAP1 | Q12931 | 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 | |
|---|---|---|---|---|
| SCHEMBL1670750 | 0.78 | ERBB2 (0.49) | ERBB2HSP90AB1HSP90B1HSP90AA1TRAP1 | |
| SCHEMBL18203411 | 0.75 | HSP90AB1 (0.69) | ERBB2HSP90AB1HSP90B1HSP90AA1TRAP1 | |
| SCHEMBL20860787 | 0.75 | HSP90AB1 (0.52) | ERBB2HSP90AB1HSP90B1HSP90AA1TRAP1 | |
| SCHEMBL15609147 | 0.75 | HSP90AB1 (0.52) | ERBB2HSP90AB1HSP90B1HSP90AA1TRAP1 | |
| SCHEMBL24377246 | 0.74 | HSP90AB1 (0.61) | ERBB2HSP90AB1HSP90B1HSP90AA1TRAP1 | |
| SCHEMBL17771103 | 0.74 | HSP90AB1 (0.66) | ERBB2HSP90AB1HSP90B1HSP90AA1TRAP1 | |
| SCHEMBL20548149 | 0.74 | HSP90B1 (0.37) | ERBB2HSP90AB1HSP90B1HSP90AA1TRAP1 | |
| SCHEMBL1669699 | 0.74 | ERBB2 (0.69) | ERBB2HSP90AB1HSP90B1HSP90AA1TRAP1 | |
| SCHEMBL1669814 | 0.74 | HSP90AA1 (0.75) | ERBB2HSP90AB1HSP90B1HSP90AA1TRAP1 | |
| SCHEMBL13193759 | 0.73 | HSP90AB1 (0.54) | ERBB2HSP90AB1HSP90B1HSP90AA1TRAP1 |
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-2011044394-A1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2011-04-14 | — | — | WO | disclosed |