Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 12/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 2/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2568988 | 1.00 | HSP90AB1 (0.57) | HSP90AB1KCNH2HSP90AA1ACVR1IDH1 | |
| SCHEMBL4124014 | 0.87 | HSP90AB1 (0.74) | HSP90AB1KCNH2HSP90AA1SRC | |
| SCHEMBL4124013 | 0.87 | HSP90AB1 (0.74) | HSP90AB1KCNH2HSP90AA1SRC | |
| SCHEMBL13798715 | 0.87 | HSP90AB1 (0.69) | HSP90AB1KCNH2HSP90AA1IDH1 | |
| SCHEMBL12161026 | 0.83 | HSP90AB1 (0.80) | HSP90AB1KCNH2HSP90AA1SRC | |
| SCHEMBL12160981 | 0.83 | HSP90AB1 (0.80) | HSP90AB1KCNH2HSP90AA1SRC | |
| SCHEMBL2563850 | 0.80 | HSP90AB1 (0.60) | HSP90AB1KCNH2HSP90AA1ACVR1 | |
| SCHEMBL2563853 | 0.80 | HSP90AB1 (0.60) | HSP90AB1KCNH2HSP90AA1ACVR1 | |
| SCHEMBL13798717 | 0.79 | HSP90AB1 (0.72) | HSP90AB1KCNH2HSP90AA1SRC | |
| SCHEMBL12161181 | 0.73 | HSP90AB1 (1.00) | HSP90AB1KCNH2HSP90AA1SRC |
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-2007767-B1 | PYRROLOPYRIMIDINE DERIVATIVES USED AS HSP90 INHIBITORS | VERNALIS R&D LTD (GB) | 2011-11-02 | — | — | EP | disclosed |