Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | STAT6 | P42226 | 1/20 | 0.30 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.30 |
| ▸ | SMAD2 | Q15796 | 1/20 | 0.30 |
| ▸ | ACLY | P53396 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10186746 | 0.89 | HSP90AB1 (0.52) | HSP90AB1HSP90AA1STAT6SMAD3SMAD2 | |
| SCHEMBL19418327 | 0.89 | HSP90AB1 (0.52) | HSP90AB1HSP90AA1STAT6SMAD3SMAD2 | |
| SCHEMBL19418380 | 0.85 | HSP90AB1 (0.44) | HSP90AB1HSP90AA1STAT6SMAD3SMAD2 | |
| SCHEMBL20840851 | 0.82 | HSP90AB1 (0.50) | HSP90AB1HSP90AA1STAT6SMAD3SMAD2 | |
| SCHEMBL10150174 | 0.76 | HSP90AB1 (0.66) | HSP90AB1HSP90AA1STAT6SMAD3SMAD2 | |
| SCHEMBL18871691 | 0.75 | HSP90AB1 (0.44) | HSP90AB1HSP90AA1STAT6SMAD3SMAD2 | |
| SCHEMBL20840838 | 0.74 | HSP90AB1 (0.48) | HSP90AB1HSP90AA1STAT6SMAD3SMAD2 | |
| SCHEMBL19418461 | 0.74 | HSP90AB1 (0.52) | HSP90AB1HSP90AA1STAT6SMAD3SMAD2 | |
| SCHEMBL17787723 | 0.74 | F13A1 (0.45) | HSP90AB1HSP90AA1 | |
| SCHEMBL20840837 | 0.73 | HSP90AB1 (0.42) | HSP90AB1HSP90AA1STAT6SMAD3SMAD2 |
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-2136799-B1 | MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 | UNIV STRASBOURG (FR) | 2017-10-04 | — | — | EP | disclosed |