Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.34 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1075665 | 0.94 | PTGS2 (0.34) | PTGS2PTGS1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL1074426 | 0.89 | PDE4B (0.37) | PTGS2PTGS1 | |
| SCHEMBL1073760 | 0.89 | POLB (0.36) | SMN1; SMN2PTGS2PTGS1HSP90AA1HSP90B1 | |
| SCHEMBL1073973 | 0.88 | SMN1; SMN2 (0.35) | SMN1; SMN2PTGS2PTGS1POLB | |
| SCHEMBL1076433 | 0.85 | KCNH2 (0.35) | SMN1; SMN2POLB | |
| SCHEMBL1074066 | 0.82 | ALDH1A1 (0.34) | SMN1; SMN2PTGS2PTGS1HSP90AA1 | |
| SCHEMBL1225604 | 0.82 | GPBAR1 (0.35) | PTGS2PTGS1 | |
| SCHEMBL1224856 | 0.82 | GRM5 (0.36) | PTGS2PTGS1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL1110681 | 0.82 | SMN1; SMN2 (0.35) | SMN1; SMN2PTGS2PTGS1POLB | |
| SCHEMBL1075218 | 0.82 | HSP90AA1 (0.35) | SMN1; SMN2PTGS2PTGS1HSP90AA1HSP90B1 |
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 |