Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 20/20 | 0.68 |
| ▸ | HSP90AB1 | P08238 | 7/20 | 0.68 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.60 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.60 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.60 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.60 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.60 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.60 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.60 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.60 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.60 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.60 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.60 |
| ▸ | CDC37 | Q16543 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8204526 | 0.88 | HSP90AA1 (0.87) | HSP90AA1HSP90AB1HDAC3HDAC4HDAC1 | |
| SCHEMBL8153203 | 0.88 | HSP90AA1 (0.87) | HSP90AA1HSP90AB1HDAC3HDAC4HDAC1 | |
| SCHEMBL8209729 | 0.88 | HSP90AA1 (0.64) | HSP90AA1HSP90AB1HDAC3HDAC4HDAC1 | |
| SCHEMBL8158943 | 0.88 | HSP90AA1 (0.85) | HSP90AA1HSP90AB1HDAC3HDAC4HDAC1 | |
| SCHEMBL8152895 | 0.85 | HSP90AA1 (0.84) | HSP90AA1HSP90AB1HDAC3HDAC4HDAC1 | |
| SCHEMBL4480998 | 0.81 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1HDAC3HDAC4HDAC1 | |
| SCHEMBL4900367 | 0.81 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1HDAC3HDAC4HDAC1 | |
| SCHEMBL8215954 | 0.79 | HSP90AB1 (0.69) | HSP90AA1HSP90AB1HDAC3HDAC4HDAC1 | |
| SCHEMBL20427922 | 0.78 | HSP90AA1 (0.69) | HSP90AA1CDC37 | |
| SCHEMBL14084825 | 0.77 | HSP90AA1 (0.73) | HSP90AA1HSP90AB1CDC37 |
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-2008115262-A2 | HSP90 INHIBITORS CONTAINING A ZINC BINDING MOIETY | CURIS, INC. (US) | 2008-09-25 | — | — | WO | disclosed |