Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19953042 | 0.92 | PTGS2 (0.43) | PTGS2CYP11B2RAB9A | |
| SCHEMBL19953199 | 0.86 | PTGS2 (0.49) | PTGS2PTGS1 | |
| SCHEMBL19953048 | 0.86 | PTGS2 (0.42) | PTGS2CYP11B2PTGS1RAB9A | |
| SCHEMBL19953091 | 0.77 | PTGS2 (0.51) | PTGS2PTGS1 | |
| SCHEMBL19967375 | 0.75 | PTGS2 (0.67) | PTGS2CYP11B2PTGS1 | |
| SCHEMBL19953097 | 0.75 | POLB (0.33) | RAB9A | |
| SCHEMBL19953205 | 0.75 | POLB (0.36) | — | |
| SCHEMBL1074104 | 0.72 | PTGS2 (0.47) | PTGS2PTGS1 | |
| SCHEMBL19953116 | 0.71 | HSP90AA1 (0.43) | — | |
| SCHEMBL19953173 | 0.71 | PTGS2 (0.50) | PTGS2PTGS1RAB9A |
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 |