Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5135509 | 0.95 | TSHR (0.38) | TSHRC5AR1HSD11B1RORCKDM4E | |
| SCHEMBL5136832 | 0.89 | TSHR (0.42) | TSHRC5AR1HSD11B1AGTR1PGR | |
| SCHEMBL14415666 | 0.89 | TSHR (0.33) | TSHRMEN1KMT2AESR1 | |
| SCHEMBL4770835 | 0.88 | TSHR (0.39) | TSHRC5AR1HSD11B1RORCKDM4E | |
| SCHEMBL5136167 | 0.88 | AGTR1 (0.43) | AGTR1 | |
| SCHEMBL5137587 | 0.87 | PDK1 (0.36) | TSHRMEN1KMT2A | |
| SCHEMBL5136526 | 0.87 | C5AR1 (0.51) | TSHRC5AR1ALDH1A1SMN1; SMN2 | |
| SCHEMBL5071535 | 0.86 | TSHR (0.45) | TSHRC5AR1HSD11B1AGTR1PGR | |
| SCHEMBL5135082 | 0.86 | HSD11B1 (0.40) | TSHRC5AR1HSD11B1KDM4ECYP19A1 | |
| SCHEMBL5072498 | 0.84 | TSHR (0.45) | TSHRC5AR1HSD11B1KDM4EMEN1 |
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 |