Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 2/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MC4R | P32245 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5137546 | 0.89 | HTR2A (0.49) | — | |
| SCHEMBL5134787 | 0.87 | BCHE (0.42) | TSHRBCHEL3MBTL1 | |
| SCHEMBL5135239 | 0.86 | BCHE (0.47) | HSP90AA1HSP90AB1BCHE | |
| SCHEMBL5136029 | 0.85 | BCHE (0.46) | BCHEACHE | |
| SCHEMBL5138093 | 0.84 | TSHR (0.43) | KDM4EALDH1A1TSHRL3MBTL1 | |
| SCHEMBL5135862 | 0.84 | BCHE (0.41) | TSHRBCHEACHE | |
| SCHEMBL5135378 | 0.84 | CALM1 (0.45) | HSP90AA1HSP90AB1ALDH1A1TSHRBCHE | |
| SCHEMBL5075074 | 0.83 | TSHR (0.46) | TSHRBCHE | |
| SCHEMBL5136652 | 0.83 | TP53 (0.39) | KDM4ETSHRBCHE | |
| SCHEMBL5134933 | 0.83 | C5AR1 (0.49) | — |
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 |