Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARD | Q03181 | 5/20 | 0.38 |
| ▸ | PPARA | Q07869 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | TRPM8 | Q7Z2W7 | 5/20 | 0.33 |
| ▸ | CETP | P11597 | 1/20 | 0.33 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.33 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.33 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.33 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.33 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.33 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.33 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.33 |
| ▸ | FXYD2 | P54710 | 1/20 | 0.33 |
| ▸ | ATP1A4 | Q13733 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | GCGR | P47871 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5071417 | 0.89 | TSHR (0.39) | PPARDTSHRBCHE | |
| SCHEMBL5136624 | 0.85 | TSHR (0.40) | TSHRBCHE | |
| SCHEMBL5136261 | 0.85 | TSHR (0.35) | PPARDPPARATSHRPPARG | |
| SCHEMBL5136829 | 0.84 | TSHR (0.39) | TSHRCNR2 | |
| SCHEMBL650145 | 0.83 | LPAR1 (0.40) | TSHR | |
| SCHEMBL5134552 | 0.83 | TSHR (0.40) | PPARDTSHRBCHE | |
| SCHEMBL5135939 | 0.81 | HSP90AA1 (0.38) | TSHRCNR2 | |
| SCHEMBL5135337 | 0.80 | TSHR (0.37) | PPARDPPARATSHRPPARGBCHE | |
| SCHEMBL5134566 | 0.80 | TSHR (0.41) | TSHRBCHE | |
| SCHEMBL5136148 | 0.79 | OPRK1 (0.40) | TSHRBCHE |
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 |