Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 3/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 17/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 14/20 | 0.44 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16569560 | 0.90 | ERBB2 (0.44) | ERBB2HSP90AB1HSP90AA1TRAP1 | |
| SCHEMBL22341538 | 0.90 | HSP90AB1 (0.44) | ERBB2HSP90AB1HSP90AA1TRAP1 | |
| SCHEMBL16569713 | 0.89 | HSP90AB1 (0.44) | ERBB2HSP90AB1HSP90AA1TRAP1 | |
| SCHEMBL16686840 | 0.89 | ERBB2 (0.48) | ERBB2HSP90AB1HSP90AA1TRAP1 | |
| Hydrochloric Acid SCHEMBL16973861 | 0.87 | ERBB2 (0.49) | ERBB2HSP90AB1HSP90AA1TRAP1 | |
| SCHEMBL15522114 | 0.86 | HSP90AB1 (0.48) | ERBB2HSP90AB1HSP90AA1TRAP1 | |
| SCHEMBL20878896 | 0.86 | HSP90AB1 (0.48) | HSP90AB1HSP90AA1 | |
| SCHEMBL16973872 | 0.85 | ERBB2 (0.42) | ERBB2HSP90AB1HSP90AA1 | |
| SCHEMBL500959 | 0.85 | HSP90AB1 (0.48) | ERBB2HSP90AB1HSP90AA1TRAP1 | |
| SCHEMBL15107014 | 0.84 | HSP90AB1 (0.45) | HSP90AB1HSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3738594-A1 | TARGETED THERAPEUTICS HAVING AN HSP90 LIGAND AS BINDING MOIETY | Madrigal Pharmaceuticals, Inc. (US) | 2020-11-18 | — | — | EP | disclosed |