Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 4/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ICMT | O60725 | 1/20 | 0.34 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 2/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5136057 | 0.95 | TSHR (0.37) | TSHRCNR2CYP2C19ICMTC5AR1 | |
| SCHEMBL5138104 | 0.94 | TSHR (0.36) | TSHRCNR2CYP2C19ICMTC5AR1 | |
| SCHEMBL5136850 | 0.93 | TSHR (0.39) | TSHRCNR2CYP2C19ICMTC5AR1 | |
| SCHEMBL5135027 | 0.90 | TSHR (0.36) | TSHRCNR2CYP2C19ICMTC5AR1 | |
| SCHEMBL5134519 | 0.89 | TSHR (0.38) | TSHRCNR2CYP2C19ICMTC5AR1 | |
| SCHEMBL5137375 | 0.89 | TSHR (0.36) | TSHRCNR2CYP2C19ICMTC5AR1 | |
| SCHEMBL5137471 | 0.88 | TSHR (0.40) | TSHRC5AR1HTR2AHTR2CSLC6A4 | |
| SCHEMBL5134616 | 0.87 | CNR2 (0.43) | TSHRCNR2BCHE | |
| SCHEMBL5136123 | 0.87 | C5AR1 (0.38) | TSHRCNR2CYP2C19ICMTC5AR1 | |
| SCHEMBL5135274 | 0.87 | TSHR (0.41) | TSHRCNR2CYP2C19C5AR1ALDH1A1 |
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 |