Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 13/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3956701 | 0.91 | HSP90AB1 (0.48) | HSP90AB1HSP90AA1KCNH2 | |
| SCHEMBL3956211 | 0.91 | HSP90AB1 (0.47) | HSP90AB1HSP90AA1KCNH2TDP1L3MBTL1 | |
| SCHEMBL2566599 | 0.88 | KCNH2 (0.43) | HSP90AB1HSP90AA1KCNH2 | |
| SCHEMBL3955735 | 0.88 | HSP90AA1 (0.62) | HSP90AB1HSP90AA1KCNH2 | |
| SCHEMBL13798712 | 0.85 | KCNH2 (0.62) | HSP90AB1HSP90AA1KCNH2 | |
| SCHEMBL3961239 | 0.85 | HSP90AA1 (0.56) | HSP90AB1HSP90AA1KCNH2POLB | |
| SCHEMBL3961248 | 0.85 | HSP90AB1 (0.56) | HSP90AB1HSP90AA1KCNH2KMT2ATDP1 | |
| SCHEMBL4134884 | 0.84 | HSP90AB1 (0.50) | HSP90AB1HSP90AA1KCNH2L3MBTL1 | |
| SCHEMBL2568420 | 0.84 | HSP90AB1 (0.47) | HSP90AB1HSP90AA1KCNH2 | |
| SCHEMBL3956064 | 0.84 | HSP90AA1 (0.57) | HSP90AB1HSP90AA1KCNH2 |
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 |