Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 7/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | CASR | P41180 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 3/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | AKT2 | P31751 | 1/20 | 0.33 |
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 | 0.90 | C5AR1 (0.39) | C5AR1CRHR1HDAC1TSHRGAA | |
| SCHEMBL648304 | 0.90 | C5AR1 (0.41) | C5AR1CRHR1HDAC1TSHRKDM4E | |
| SCHEMBL5135852 | 0.89 | C5AR1 (0.40) | C5AR1CRHR1HDAC1TP53GAA | |
| SCHEMBL5137556 | 0.87 | C5AR1 (0.40) | C5AR1HDAC1TSHRTP53KDM4E | |
| SCHEMBL5137557 | 0.87 | C5AR1 (0.42) | C5AR1TSHRTP53GAASMN1; SMN2 | |
| SCHEMBL648140 | 0.87 | C5AR1 (0.44) | C5AR1TP53GAASMN1; SMN2ALDH1A1 | |
| SCHEMBL5137356 | 0.87 | MEN1 (0.45) | C5AR1SMN1; SMN2ALDH1A1CYP3A4ADORA2B | |
| SCHEMBL5136939 | 0.86 | CRHR1 (0.42) | C5AR1PDE5ACRHR1HDAC1TSHR | |
| SCHEMBL651501 | 0.86 | C5AR1 (0.44) | C5AR1CRHR1HDAC1TSHRKDM4E | |
| SCHEMBL5137023 | 0.85 | C5AR1 (0.42) | C5AR1PDE5ACRHR1TSHRTP53 |
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 |