Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5136562 | 0.97 | ALDH1A1 (0.46) | C5AR1ALDH1A1KDM4ETSHRPOLB | |
| SCHEMBL5136856 | 0.94 | C5AR1 (0.45) | C5AR1ALDH1A1KDM4ETSHRBCHE | |
| SCHEMBL5134673 | 0.93 | C5AR1 (0.43) | C5AR1ALDH1A1KDM4ETSHRBCHE | |
| SCHEMBL5136651 | 0.91 | C5AR1 (0.43) | C5AR1ALDH1A1KDM4ETSHRPOLB | |
| SCHEMBL5137111 | 0.91 | ALDH1A1 (0.42) | C5AR1ALDH1A1KDM4ETSHRPOLB | |
| SCHEMBL5134702 | 0.91 | ALDH1A1 (0.42) | C5AR1ALDH1A1KDM4ETSHRPOLB | |
| SCHEMBL651365 | 0.91 | C5AR1 (0.46) | C5AR1ALDH1A1KDM4ETSHRBCHE | |
| SCHEMBL5135495 | 0.90 | C5AR1 (0.43) | C5AR1ALDH1A1KDM4ETSHRBCHE | |
| SCHEMBL5072205 | 0.90 | C5AR1 (0.46) | C5AR1ALDH1A1KDM4ETSHRBCHE | |
| SCHEMBL5135242 | 0.89 | C5AR1 (0.45) | C5AR1ALDH1A1KDM4ETSHRPOLB |
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 |