Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
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 | 0.88 | PTGS2 (0.43) | PTGS2RAB9ACYP11B2 | |
| SCHEMBL19953052 | 0.86 | PTGS2 (0.41) | PTGS2PTGS1RAB9ACYP11B2 | |
| SCHEMBL19953173 | 0.85 | PTGS2 (0.50) | PTGS2PTGS1RAB9A | |
| SCHEMBL1074163 | 0.82 | PTGS2 (0.42) | PTGS2PTGS1RAB9AGRM1CYP11B2 | |
| SCHEMBL19967375 | 0.78 | PTGS2 (0.67) | PTGS2PTGS1CYP11B2 | |
| SCHEMBL1082336 | 0.73 | PDE2A (0.40) | RAB9A | |
| SCHEMBL1072687 | 0.73 | PDE2A (0.40) | RAB9AGRM1 | |
| SCHEMBL19953091 | 0.73 | PTGS2 (0.51) | PTGS2PTGS1 | |
| SCHEMBL23507084 | 0.72 | MKNK1 (0.47) | PTGS2RAB9AGRM1CYP11B2 | |
| SCHEMBL19214262 | 0.72 | ALDH1A1 (0.50) | PTGS2RAB9AGRM1CYP11B2 |
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 |