Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.67 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.51 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.46 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.46 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19953044 | 0.84 | PTGS2 (0.68) | PTGS2PTGS1 | |
| SCHEMBL6290575 | 0.80 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL19953048 | 0.78 | PTGS2 (0.42) | PTGS2PTGS1CYP11B2 | |
| SCHEMBL19953042 | 0.78 | PTGS2 (0.43) | PTGS2CYP11B2 | |
| SCHEMBL19953052 | 0.75 | PTGS2 (0.41) | PTGS2PTGS1CYP11B2 | |
| SCHEMBL27399082 | 0.74 | PTGS2 (0.54) | PTGS2MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL15207545 | 0.74 | PTGS2 (0.71) | PTGS2PTGS1MAPK13MAPK12MAPK11 | |
| SCHEMBL27399088 | 0.74 | PTGS2 (0.54) | PTGS2 | |
| SCHEMBL23507084 | 0.73 | MKNK1 (0.47) | PTGS2CYP11B2 | |
| SCHEMBL19214262 | 0.73 | ALDH1A1 (0.50) | PTGS2CYP11B2 |
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 |