Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.45 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | PI4KA | P42356 | 1/20 | 0.34 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.34 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.34 |
| ▸ | PI4KB | Q9UBF8 | 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 | |
|---|---|---|---|---|
| SCHEMBL19953116 | 0.91 | HSP90AA1 (0.43) | HSP90AA1HSP90AB1CYP19A1KCNH2AOC3 | |
| SCHEMBL19953046 | 0.88 | HSP90AA1 (0.41) | HSP90AA1HSP90AB1CYP19A1KCNH2AOC3 | |
| SCHEMBL19953174 | 0.88 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1CYP19A1KCNH2AOC3 | |
| SCHEMBL1076208 | 0.88 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL19953125 | 0.85 | CYP11B2 (0.37) | HSP90AA1HSP90AB1CYP11B2 | |
| SCHEMBL19953001 | 0.85 | HSP90AA1 (0.42) | HSP90AA1HSP90AB1 | |
| SCHEMBL1075925 | 0.83 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1CYP19A1KCNH2AOC3 | |
| SCHEMBL1071938 | 0.83 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1CYP19A1KCNH2AOC3 | |
| SCHEMBL19953017 | 0.81 | PTGS2 (0.37) | HSP90AA1HSP90AB1 | |
| SCHEMBL19953079 | 0.81 | HSP90AA1 (0.48) | HSP90AA1HSP90AB1KCNH2AOC3MAPT |
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 |