Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 18/20 | 0.50 |
| ▸ | HSP90B1 | P14625 | 3/20 | 0.50 |
| ▸ | TRAP1 | Q12931 | 3/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 7/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL22354461 | 0.91 | HSP90AA1 (0.48) | HSP90AA1HSP90B1TRAP1HSP90AB1PDK1 | |
| SCHEMBL28341024 | 0.90 | HSP90AA1 (0.47) | HSP90AA1HSP90B1TRAP1HSP90AB1PDK1 | |
| SCHEMBL30368851 | 0.90 | HSP90AA1 (0.47) | HSP90AA1HSP90B1TRAP1HSP90AB1PDK1 | |
| SCHEMBL5002925 | 0.90 | PDK1 (0.52) | HSP90AA1HSP90B1TRAP1HSP90AB1PDK1 | |
| SCHEMBL15522473 | 0.90 | HSP90AA1 (0.47) | HSP90AA1HSP90B1TRAP1HSP90AB1PDK1 | |
| Piperazine SCHEMBL28333614 | 0.89 | HSP90AA1 (0.46) | HSP90AA1HSP90B1TRAP1HSP90AB1PDK1 | |
| Hydrochloric Acid SCHEMBL29529693 | 0.89 | HSP90AA1 (0.46) | HSP90AA1HSP90B1TRAP1HSP90AB1PDK1 | |
| Hydrochloric Acid SCHEMBL16569190 | 0.89 | HSP90AA1 (0.46) | HSP90AA1HSP90B1TRAP1HSP90AB1PDK1 | |
| SCHEMBL30985941 | 0.88 | HRH3 (0.46) | HSP90AA1HSP90B1TRAP1HSP90AB1PDK1 | |
| SCHEMBL22541228 | 0.88 | HRH3 (0.46) | HSP90AA1HSP90B1TRAP1HSP90AB1PDK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118139860-A | PARP-1 degrading agent and application thereof | 西藏海思科制药有限公司 | 2024-06-04 | — | — | CN | disclosed |
| WO-2023066363-A1 | PARP-1 DEGRADATION AGENT AND USE THEREOF | 海思科医药集团股份有限公司 | 2023-04-27 | — | — | WO | disclosed |