Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.39 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 3/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.35 |
| ▸ | DRD3 | P35462 | 3/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.34 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.34 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL5136205 | 0.93 | TSHR (0.39) | TSHRHSD11B1C5AR1DRD2OPRM1 | |
| SCHEMBL5137588 | 0.91 | TSHR (0.41) | TSHRHSD11B1C5AR1ALDH1A1MAPT | |
| SCHEMBL5135195 | 0.91 | TSHR (0.38) | TSHRHSD11B1C5AR1DRD2OPRM1 | |
| SCHEMBL5137926 | 0.88 | TSHR (0.41) | TSHRHSD11B1C5AR1DRD2OPRM1 | |
| SCHEMBL5134920 | 0.88 | HSD11B1 (0.44) | TSHRHSD11B1C5AR1DRD2OPRM1 | |
| SCHEMBL5075074 | 0.88 | TSHR (0.46) | TSHRHSD11B1DRD2OPRM1DRD3 | |
| SCHEMBL5135358 | 0.87 | HSD11B1 (0.42) | TSHRHSD11B1C5AR1DRD2OPRM1 | |
| SCHEMBL5135727 | 0.86 | TSHR (0.39) | TSHRHSD11B1C5AR1DRD2OPRM1 | |
| SCHEMBL5135696 | 0.85 | TSHR (0.40) | TSHRHSD11B1 | |
| SCHEMBL5135197 | 0.85 | TSHR (0.40) | TSHRHSD11B1C5AR1DRD2OPRM1 |
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 |