Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR1 | Q9BXC0 | 3/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | PDE2A | O00408 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19953055 | 0.81 | PTGS2 (0.37) | PTGS1PTGS2PDE2APDE10AGABRG2 | |
| SCHEMBL19953173 | 0.77 | PTGS2 (0.50) | PTGS1PTGS2 | |
| SCHEMBL19953176 | 0.73 | GPBAR1 (0.47) | HCAR1PDE2APDE10AKCNN4CYP11B2 | |
| SCHEMBL7211112 | 0.67 | HTT (0.56) | HCAR1 | |
| SCHEMBL19953199 | 0.66 | PTGS2 (0.49) | PTGS1PTGS2 | |
| SCHEMBL19953164 | 0.64 | CYP11B2 (0.47) | PTGS1PTGS2CYP11B2 | |
| SCHEMBL1073380 | 0.64 | PTGS2 (0.50) | PTGS1PTGS2 | |
| SCHEMBL10593949 | 0.64 | MAPK14 (0.42) | PDE2APDE10AKCNN4 | |
| SCHEMBL10593745 | 0.64 | MAPK14 (0.42) | PDE2APDE10AKCNN4 | |
| SCHEMBL1074163 | 0.63 | PTGS2 (0.42) | PTGS1PTGS2GRM1CYP11B2 |
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 2 patents. 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 |
| 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 |