Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.56 |
| ▸ | HSP90AB1 | P08238 | 12/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL3955735 | 0.95 | HSP90AA1 (0.62) | HSP90AA1HSP90AB1KCNH2SMN1; SMN2 | |
| SCHEMBL4134884 | 0.91 | HSP90AB1 (0.50) | HSP90AA1HSP90AB1KCNH2SMN1; SMN2 | |
| SCHEMBL3956064 | 0.90 | HSP90AA1 (0.57) | HSP90AA1HSP90AB1KCNH2SMN1; SMN2 | |
| SCHEMBL3961248 | 0.90 | HSP90AB1 (0.56) | HSP90AA1HSP90AB1KCNH2 | |
| SCHEMBL4059825 | 0.88 | HSP90AB1 (0.45) | HSP90AA1HSP90AB1KCNH2 | |
| SCHEMBL3955015 | 0.87 | HSP90AB1 (0.53) | HSP90AA1HSP90AB1KCNH2GAA | |
| SCHEMBL2569133 | 0.85 | HSP90AB1 (0.46) | HSP90AA1HSP90AB1KCNH2 | |
| SCHEMBL4064357 | 0.85 | HSP90AB1 (0.48) | HSP90AA1HSP90AB1KCNH2POLB | |
| SCHEMBL3956211 | 0.84 | HSP90AB1 (0.47) | HSP90AA1HSP90AB1KCNH2SMN1; SMN2GAA | |
| SCHEMBL3956701 | 0.82 | HSP90AB1 (0.48) | HSP90AA1HSP90AB1KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009030871-A1 | PYRROLOPYRIMIDINE DERIVATIVES HAVING HSP90 INHIBITORY ACTIVITY | VERNALIS R & D LTD (GB) | 2009-03-12 | — | — | WO | disclosed |