Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 19/20 | 0.56 |
| ▸ | HSP90AB1 | P08238 | 19/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.51 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.51 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.51 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.51 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.51 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.51 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.51 |
| ▸ | TRAP1 | Q12931 | 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 | |
|---|---|---|---|---|
| SCHEMBL15624961 | 0.92 | HSP90AA1 (0.56) | HSP90AA1HSP90AB1HDAC3HDAC4HDAC1 | |
| SCHEMBL15624901 | 0.92 | HSP90AA1 (0.56) | HSP90AA1HSP90AB1HDAC3HDAC4HDAC1 | |
| SCHEMBL15624960 | 0.91 | ERBB2 (0.56) | HSP90AA1HSP90AB1HDAC3HDAC4HDAC1 | |
| SCHEMBL1672646 | 0.90 | HSP90AA1 (0.56) | HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1 | |
| SCHEMBL15624945 | 0.90 | HSP90AA1 (0.56) | HSP90AA1HSP90AB1HDAC3HDAC4HDAC1 | |
| SCHEMBL15609826 | 0.90 | HSP90AA1 (0.55) | HSP90AA1HSP90AB1HDAC3HDAC4HDAC1 | |
| SCHEMBL15625003 | 0.89 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1HDAC3HDAC4HDAC1 | |
| SCHEMBL13194030 | 0.89 | HSP90AA1 (0.55) | HSP90AA1HSP90AB1HDAC3HDAC4HDAC1 | |
| SCHEMBL24376802 | 0.88 | HSP90AA1 (0.51) | HSP90AA1HSP90AB1HDAC3HDAC4HDAC1 | |
| SCHEMBL11909453 | 0.88 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1HDAC3HDAC4HDAC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2486039-A1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | Sloan Kettering Institute For Cancer Research (US) | 2012-08-15 | — | — | EP | claimed |
| WO-2011044394-A1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2011-04-14 | — | — | WO | claimed |