Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | ACKR3 | P25106 | 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 | |
|---|---|---|---|---|
| SCHEMBL5071535 | 0.94 | TSHR (0.45) | TSHRHSD11B1C5AR1AGTR1KDM4E | |
| SCHEMBL1912760 | 0.92 | TSHR (0.48) | TSHRHSD11B1C5AR1KDM4EALDH1A1 | |
| SCHEMBL5136832 | 0.91 | TSHR (0.42) | TSHRHSD11B1C5AR1AGTR1KDM4E | |
| SCHEMBL5072318 | 0.88 | TSHR (0.40) | TSHRHSD11B1MAPTKDM4EALDH1A1 | |
| SCHEMBL1912927 | 0.87 | TSHR (0.39) | TSHRHSD11B1 | |
| SCHEMBL5072278 | 0.86 | TSHR (0.51) | TSHRHSD11B1C5AR1KDM4EALDH1A1 | |
| SCHEMBL5075074 | 0.86 | TSHR (0.46) | TSHRHSD11B1 | |
| SCHEMBL5135175 | 0.85 | AGTR1 (0.43) | MAPTAGTR1KDM4EALDH1A1AGTR2 | |
| SCHEMBL5072355 | 0.85 | HSD11B1 (0.45) | TSHRHSD11B1C5AR1 | |
| SCHEMBL5072498 | 0.85 | TSHR (0.45) | TSHRHSD11B1C5AR1KDM4EALDH1A1 |
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 |