Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 20/20 | 0.61 |
| ▸ | HSP90AB1 | P08238 | 5/20 | 0.61 |
| ▸ | CDC37 | Q16543 | 2/20 | 0.53 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL12304527 | 0.90 | HSP90AA1 (0.76) | HSP90AA1HSP90AB1CDC37TRAP1 | |
| SCHEMBL2448946 | 0.89 | HSP90AA1 (0.76) | HSP90AA1HSP90AB1CDC37 | |
| SCHEMBL12304561 | 0.89 | HSP90AA1 (0.69) | HSP90AA1HSP90AB1CDC37 | |
| SCHEMBL12304570 | 0.88 | HSP90AA1 (0.62) | HSP90AA1HSP90AB1 | |
| SCHEMBL12304585 | 0.87 | HSP90AA1 (0.62) | HSP90AA1HSP90AB1 | |
| SCHEMBL12304821 | 0.87 | HSP90AA1 (0.69) | HSP90AA1HSP90AB1CDC37TRAP1 | |
| SCHEMBL12304579 | 0.87 | HSP90AA1 (0.77) | HSP90AA1HSP90AB1CDC37 | |
| SCHEMBL12304584 | 0.85 | HSP90AA1 (0.64) | HSP90AA1HSP90AB1 | |
| SCHEMBL12304576 | 0.85 | HSP90AA1 (0.64) | HSP90AA1HSP90AB1 | |
| SCHEMBL12304605 | 0.85 | HSP90AA1 (0.69) | HSP90AA1HSP90AB1CDC37 |
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 |
|---|---|---|---|---|---|---|---|
| US-8017780-B1 | Therapeutic compounds and uses thereof | MYREXIS, INC. (US) | 2011-09-13 | — | — | US | disclosed |
| US-8017780-B1 | Therapeutic compounds and uses thereof | MYREXIS, INC. (US) | 2011-09-13 | — | — | US | disclosed |