Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | PPARA | Q07869 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.33 |
| ▸ | F2R | P25116 | 4/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | FNTA | P49354 | 1/20 | 0.32 |
| ▸ | FNTB | P49356 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5137856 | 0.92 | C5AR1 (0.39) | C5AR1PPARGPPARATSHRCYP2C19 | |
| SCHEMBL5136123 | 0.90 | C5AR1 (0.38) | C5AR1PPARGPPARATSHRCYP2C19 | |
| SCHEMBL5136591 | 0.88 | TSHR (0.41) | C5AR1TSHRHSD11B1ALDH1A1HPGD | |
| SCHEMBL5072389 | 0.88 | TSHR (0.41) | C5AR1PPARGPPARATSHRCYP2C19 | |
| SCHEMBL5134491 | 0.88 | C5AR1 (0.38) | C5AR1PPARGPPARATSHRCYP2C19 | |
| SCHEMBL5135729 | 0.88 | PPARG (0.40) | C5AR1PPARGPPARATSHRCYP2C19 | |
| SCHEMBL5072207 | 0.88 | PPARG (0.39) | C5AR1PPARGPPARATSHRCYP2C19 | |
| SCHEMBL5137298 | 0.88 | PPARG (0.39) | C5AR1PPARGPPARATSHRCYP2C19 | |
| SCHEMBL5135150 | 0.87 | HSD11B1 (0.40) | C5AR1PPARGPPARATSHRCYP2C19 | |
| SCHEMBL5135967 | 0.87 | TSHR (0.38) | C5AR1PPARGPPARATSHRCYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1490044-A4 | COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS | NEUROGEN CORP (US) | 2008-04-16 | — | — | EP | disclosed |
| EP-1490044-A1 | COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS | NEUROGEN CORPORATION (US) | 2004-12-29 | — | — | EP | disclosed |
| WO-2003084524-A1 | COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS | NEUROGEN CORPORATION (US) | 2003-10-16 | — | — | WO | disclosed |