Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 19/20 | 0.68 |
| ▸ | HSP90AB1 | P08238 | 10/20 | 0.68 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.68 |
| ▸ | HDAC8 | Q9BY41 | 8/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 8/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 8/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL21097007 | 0.91 | HSP90AA1 (0.81) | HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3 | |
| Hydrochloric Acid SCHEMBL23673784 | 0.90 | HSP90AA1 (0.80) | HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3 | |
| Hydrochloric Acid SCHEMBL29974145 | 0.90 | HSP90AA1 (0.80) | HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3 | |
| SCHEMBL30368762 | 0.90 | HSP90AA1 (0.74) | HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3 | |
| SCHEMBL25317452 | 0.90 | HSP90AA1 (0.74) | HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3 | |
| SCHEMBL24321234 | 0.86 | HSP90AA1 (0.60) | HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3 | |
| SCHEMBL30829341 | 0.85 | HSP90AA1 (0.72) | HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3 | |
| SCHEMBL30368721 | 0.83 | HSP90AA1 (0.71) | HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3 | |
| SCHEMBL384367 | 0.81 | HSP90AA1 (0.85) | HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3 | |
| Onalespib SCHEMBL29351356 | 0.81 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1HSP90B1HDAC8HDAC3 |
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-2024034591-A1 | HETEROCYCLIC COMPOUND FOR INHIBITING AND/OR INDUCING DEGRADATION OF KRAS PROTEIN | アステラス製薬株式会社 | 2024-02-15 | — | — | WO | disclosed |