Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL5136223 | 0.89 | MEN1 (0.39) | ALDH1A1MAPTMAPK1TP53GAA | |
| SCHEMBL5135816 | 0.89 | TSHR (0.44) | TSHRALDH1A1MAPTMAPK1TP53 | |
| SCHEMBL1912760 | 0.83 | TSHR (0.48) | TSHRALDH1A1HSD11B1C5AR1KDM4E | |
| SCHEMBL5136725 | 0.82 | C5AR1 (0.55) | TSHRALDH1A1TP53L3MBTL1C5AR1 | |
| SCHEMBL5137499 | 0.82 | HSD11B1 (0.36) | TSHRALDH1A1MAPK1HSD11B1MEN1 | |
| SCHEMBL5072278 | 0.81 | TSHR (0.51) | TSHRALDH1A1MAPK1HSD11B1C5AR1 | |
| SCHEMBL5135900 | 0.81 | TLR7 (0.42) | TSHRALDH1A1MAPTMAPK1TP53 | |
| SCHEMBL5137056 | 0.81 | MEN1 (0.40) | TSHRALDH1A1MAPTTP53TLR7 | |
| SCHEMBL5075074 | 0.81 | TSHR (0.46) | TSHRHSD11B1KMT2ANR1H3PDE4B | |
| SCHEMBL14415668 | 0.80 | MEN1 (0.38) | TSHRALDH1A1MAPTMAPK1TP53 |
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 |