Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | ATP4A | P20648 | 1/20 | 0.35 |
| ▸ | ATP4B | P51164 | 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 | |
|---|---|---|---|---|
| SCHEMBL649712 | 0.97 | C5AR1 (0.49) | C5AR1ESR1ESR2CRHR1BCHE | |
| SCHEMBL5135588 | 0.95 | C5AR1 (0.45) | C5AR1ESR1ESR2CRHR1BCHE | |
| SCHEMBL5134990 | 0.92 | C5AR1 (0.44) | C5AR1ESR1ESR2CRHR1BCHE | |
| SCHEMBL5134693 | 0.92 | C5AR1 (0.45) | C5AR1ESR1ESR2CRHR1BCHE | |
| SCHEMBL5135148 | 0.92 | C5AR1 (0.45) | C5AR1ESR1ESR2CRHR1BCHE | |
| SCHEMBL5135954 | 0.90 | C5AR1 (0.44) | C5AR1ESR1ESR2BCHETSHR | |
| SCHEMBL5136142 | 0.90 | C5AR1 (0.42) | C5AR1CRHR1TSHRKDM4EALDH1A1 | |
| SCHEMBL648508 | 0.90 | C5AR1 (0.50) | C5AR1ESR1ESR2CRHR1BCHE | |
| SCHEMBL5073872 | 0.89 | ESR1 (0.42) | C5AR1ESR1ESR2CRHR1BCHE | |
| SCHEMBL5072402 | 0.88 | MAPT (0.43) | C5AR1CRHR1BCHETSHRKDM4E |
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 |