Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 19/20 | 0.51 |
| ▸ | HSP90AB1 | P08238 | 11/20 | 0.51 |
| ▸ | CDC37 | Q16543 | 2/20 | 0.46 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.42 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12304757 | 0.95 | HSP90AA1 (0.48) | HSP90AA1HSP90AB1CDC37HSP90B1TRAP1 | |
| SCHEMBL12304563 | 0.92 | HSP90AA1 (0.61) | HSP90AA1HSP90AB1 | |
| SCHEMBL12304568 | 0.92 | HSP90AA1 (0.51) | HSP90AA1HSP90AB1CDC37HSP90B1TRAP1 | |
| SCHEMBL12304554 | 0.89 | HSP90AA1 (0.60) | HSP90AA1HSP90AB1CDC37HSP90B1TRAP1 | |
| SCHEMBL12304562 | 0.89 | HSP90AA1 (0.60) | HSP90AA1HSP90AB1CDC37HSP90B1TRAP1 | |
| SCHEMBL12304755 | 0.89 | HSP90AA1 (0.48) | HSP90AA1HSP90AB1CDC37HSP90B1TRAP1 | |
| SCHEMBL12304750 | 0.87 | HSP90AA1 (0.58) | HSP90AA1HSP90AB1CDC37 | |
| SCHEMBL12304519 | 0.87 | HSP90AA1 (0.65) | HSP90AA1HSP90AB1CDC37 | |
| SCHEMBL12304541 | 0.87 | HSP90AA1 (0.65) | HSP90AA1HSP90AB1CDC37 | |
| SCHEMBL12304559 | 0.87 | HSP90AA1 (0.66) | HSP90AA1HSP90AB1CDC37HSP90B1TRAP1 |
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 |