Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 5/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL5135638 | 0.94 | C5AR1 (0.39) | C5AR1BCHEGAAMEN1LMNA | |
| SCHEMBL5137556 | 0.92 | C5AR1 (0.40) | C5AR1BCHETP53ALDH1A1HDAC1 | |
| SCHEMBL5135791 | 0.89 | C5AR1 (0.38) | C5AR1BCHETP53GAASMN1; SMN2 | |
| SCHEMBL5137557 | 0.88 | C5AR1 (0.42) | C5AR1BCHETP53GAASMN1; SMN2 | |
| SCHEMBL648140 | 0.88 | C5AR1 (0.44) | C5AR1TP53GAASMN1; SMN2MEN1 | |
| SCHEMBL5137356 | 0.88 | MEN1 (0.45) | C5AR1HSP90AA1HSP90AB1SMN1; SMN2MEN1 | |
| SCHEMBL648304 | 0.88 | C5AR1 (0.41) | C5AR1BCHEMEN1KMT2AALDH1A1 | |
| SCHEMBL5135102 | 0.87 | C5AR1 (0.42) | C5AR1HSP90AA1HSP90AB1ERBB2BCHE | |
| SCHEMBL5135642 | 0.86 | C5AR1 (0.42) | C5AR1HSP90AA1HSP90AB1ERBB2BCHE | |
| SCHEMBL5135241 | 0.86 | C5AR1 (0.42) | C5AR1HSP90AA1HSP90AB1ERBB2BCHE |
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 |