Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.31 |
| ▸ | PPARD | Q03181 | 2/20 | 0.30 |
| ▸ | RGS4 | P49798 | 1/20 | 0.30 |
| ▸ | RGS8 | P57771 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5136012 | 0.90 | MEN1 (0.39) | CRHR1 | |
| SCHEMBL5151378 | 0.86 | C5AR1 (0.46) | ELANE | |
| SCHEMBL5135793 | 0.86 | TSHR (0.37) | KDM4EALDH1A1TSHRHSD17B10GRIN2B | |
| SCHEMBL5135843 | 0.82 | C5AR1 (0.45) | KDM4EALDH1A1CYP3A4TSHRHSD17B10 | |
| SCHEMBL5136210 | 0.81 | GRIN2B (0.32) | ALDH1A1GRIN2B | |
| SCHEMBL5136147 | 0.81 | C5AR1 (0.47) | KDM4ETSHRHSD17B10 | |
| SCHEMBL5137056 | 0.81 | MEN1 (0.40) | ALDH1A1TSHRMCHR1CRHR1 | |
| SCHEMBL5135038 | 0.80 | MEN1 (0.40) | MCHR1 | |
| SCHEMBL5135510 | 0.80 | MEN1 (0.40) | MCHR1 | |
| SCHEMBL5135751 | 0.80 | MEN1 (0.39) | MCHR1CRHR1 |
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 |