Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 14/20 | 0.78 |
| ▸ | HSP90AB1 | P08238 | 14/20 | 0.78 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.68 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.68 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.68 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.68 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.68 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.68 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.68 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.68 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.68 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.68 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.68 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL5321386 | 0.90 | HSP90AA1 (0.62) | HSP90AA1HSP90AB1HDAC3HDAC4HDAC1 | |
| SCHEMBL29370045 | 0.88 | HSP90AB1 (1.00) | HSP90AA1HSP90AB1HDAC3HDAC4HDAC1 | |
| SCHEMBL2948052 | 0.88 | HSP90AB1 (1.00) | HSP90AA1HSP90AB1HDAC3HDAC4HDAC1 | |
| SCHEMBL12939036 | 0.86 | HSP90AA1 (0.78) | HSP90AA1HSP90AB1HDAC3HDAC4HDAC1 | |
| SCHEMBL5322935 | 0.85 | HSP90AB1 (0.81) | HSP90AA1HSP90AB1HDAC3HDAC4HDAC1 | |
| SCHEMBL5323922 | 0.85 | HDAC3 (0.81) | HSP90AA1HSP90AB1HDAC3HDAC4HDAC1 | |
| SCHEMBL11994100 | 0.83 | HSP90AA1 (0.82) | HSP90AA1HSP90AB1HDAC3HDAC4HDAC1 | |
| SCHEMBL11994506 | 0.81 | HDAC3 (0.75) | HSP90AA1HSP90AB1HDAC3HDAC4HDAC1 | |
| SCHEMBL11994442 | 0.81 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1HDAC3HDAC4HDAC1 | |
| SCHEMBL11994406 | 0.81 | HSP90AB1 (0.74) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007096194-A1 | RADIO-LABELED ISOXAZOLE DERIVATIVES USEFUL FOR THE LABELING AND DIAGNOSTIC OF HSP90 FUNCTIONALITY | NOVARTIS AG (CH) | 2007-08-30 | — | — | WO | disclosed |