Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 18/20 | 0.77 |
| ▸ | HSP90AB1 | P08238 | 18/20 | 0.77 |
| ▸ | ERBB2 | P04626 | 6/20 | 0.61 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27584533 | 0.88 | HSP90AA1 (0.76) | HSP90AA1HSP90AB1ERBB2 | |
| SCHEMBL2604977 | 0.87 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1ERBB2HSP90B1 | |
| SCHEMBL10149974 | 0.81 | HSP90AA1 (0.87) | HSP90AA1HSP90AB1ERBB2HSP90B1 | |
| SCHEMBL4462613 | 0.78 | HSP90AA1 (0.77) | HSP90AA1HSP90AB1ERBB2HSP90B1 | |
| SCHEMBL30583139 | 0.78 | HSP90AA1 (0.77) | HSP90AA1HSP90AB1ERBB2HSP90B1 | |
| SCHEMBL27602471 | 0.77 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1ERBB2 | |
| SCHEMBL23819778 | 0.77 | HSP90AA1 (0.81) | HSP90AA1HSP90AB1ERBB2HSP90B1 | |
| SCHEMBL27602461 | 0.76 | HSP90AA1 (0.60) | HSP90AA1HSP90AB1ERBB2HSP90B1 | |
| SCHEMBL1864541 | 0.76 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1ERBB2HSP90B1 | |
| SCHEMBL23450478 | 0.76 | HSP90AA1 (0.79) | HSP90AA1HSP90AB1ERBB2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101928288-A | Small molecule compositions for binding to HSP90 | SLOAN KETTERING INST CANCER | 2010-12-29 | — | — | CN | disclosed |
| CN-1501928-A | Small molecule compositions that bind HSP90 | 斯隆-凯特林癌症研究所 | 2004-06-02 | — | — | CN | disclosed |