Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19953091 | 0.88 | PTGS2 (0.51) | PTGS2PTGS1 | |
| SCHEMBL1073380 | 0.86 | PTGS2 (0.50) | PTGS2PTGS1 | |
| SCHEMBL1074163 | 0.85 | PTGS2 (0.42) | PTGS2PTGS1RAB9A | |
| SCHEMBL19953048 | 0.85 | PTGS2 (0.42) | PTGS2PTGS1RAB9A | |
| SCHEMBL19953199 | 0.85 | PTGS2 (0.49) | PTGS2PTGS1 | |
| SCHEMBL1074104 | 0.82 | PTGS2 (0.47) | PTGS2PTGS1 | |
| SCHEMBL19953055 | 0.82 | PTGS2 (0.37) | PTGS2PTGS1 | |
| SCHEMBL1076492 | 0.79 | PTGS2 (0.44) | PTGS2PTGS1 | |
| SCHEMBL19952995 | 0.77 | HCAR1 (0.40) | PTGS2PTGS1 | |
| SCHEMBL19953044 | 0.76 | PTGS2 (0.68) | PTGS2PTGS1 |
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 |