Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.48 |
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1075925 | 0.88 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1KCNH2AOC3 | |
| SCHEMBL1076208 | 0.84 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1IDO1 | |
| SCHEMBL19953174 | 0.82 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1KCNH2AOC3MAPT | |
| SCHEMBL19953047 | 0.81 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1KCNH2AOC3MAPT | |
| SCHEMBL1110838 | 0.79 | HSP90AA1 (0.43) | HSP90AA1HSP90AB1 | |
| SCHEMBL19953116 | 0.78 | HSP90AA1 (0.43) | HSP90AA1HSP90AB1KCNH2AOC3 | |
| SCHEMBL19953046 | 0.76 | HSP90AA1 (0.41) | HSP90AA1HSP90AB1KCNH2AOC3 | |
| SCHEMBL19953001 | 0.76 | HSP90AA1 (0.42) | HSP90AA1HSP90AB1 | |
| SCHEMBL19953162 | 0.75 | HSP90AA1 (0.52) | HSP90AA1HSP90AB1KCNH2AOC3IDO1 | |
| SCHEMBL19953203 | 0.74 | PTGS2 (0.43) | KCNH2AOC3POLB |
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-2018048969-A1 | MULTI-TARGETED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-03-15 | — | — | WO | disclosed |