Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 12/20 | 0.56 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | LDHA | P00338 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3955015 | 0.91 | HSP90AB1 (0.53) | HSP90AB1HSP90AA1KCNH2KMT2ARXFP1 | |
| SCHEMBL3961415 | 0.90 | HSP90AB1 (0.51) | HSP90AB1HSP90AA1KCNH2LMNA | |
| SCHEMBL3961239 | 0.90 | HSP90AA1 (0.56) | HSP90AB1HSP90AA1KCNH2 | |
| SCHEMBL4134884 | 0.90 | HSP90AB1 (0.50) | HSP90AB1HSP90AA1KCNH2LMNA | |
| SCHEMBL2569133 | 0.85 | HSP90AB1 (0.46) | HSP90AB1HSP90AA1KCNH2 | |
| SCHEMBL3955735 | 0.85 | HSP90AA1 (0.62) | HSP90AB1HSP90AA1KCNH2 | |
| SCHEMBL4064357 | 0.85 | HSP90AB1 (0.48) | HSP90AB1HSP90AA1KCNH2KMT2ATDP1 | |
| SCHEMBL4059825 | 0.83 | HSP90AB1 (0.45) | HSP90AB1HSP90AA1KCNH2 | |
| SCHEMBL3956701 | 0.82 | HSP90AB1 (0.48) | HSP90AB1HSP90AA1KCNH2 | |
| SCHEMBL3955021 | 0.82 | HSP90AB1 (0.43) | 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 |