Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 1/20 | 0.40 |
| ▸ | CRHR1 | P34998 | 3/20 | 0.36 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.36 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 2/20 | 0.34 |
| ▸ | DHFR | P00374 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | DDHD2 | O94830 | 1/20 | 0.34 |
| ▸ | CCR4 | P51679 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | UBE2M | P61081 | 1/20 | 0.33 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL5135374 | 0.91 | C5AR1 (0.40) | C5AR1CRHR1CCR4 | |
| SCHEMBL5134723 | 0.90 | C5AR1 (0.42) | C5AR1CRHR1CCR4TSHRKDM4E | |
| SCHEMBL5137557 | 0.90 | C5AR1 (0.42) | C5AR1DRD2DRD3TSHRKDM4E | |
| SCHEMBL5137594 | 0.90 | C5AR1 (0.42) | C5AR1DRD2DRD3 | |
| SCHEMBL5136823 | 0.90 | C5AR1 (0.42) | C5AR1DRD2DRD3CCR5TSHR | |
| SCHEMBL5134999 | 0.90 | C5AR1 (0.44) | C5AR1TSHRKDM4EALDH1A1CYP3A4 | |
| SCHEMBL647827 | 0.89 | C5AR1 (0.41) | C5AR1DRD2DRD3TSHRKDM4E | |
| SCHEMBL5135713 | 0.89 | C5AR1 (0.44) | C5AR1TSHRKDM4EALDH1A1CYP3A4 | |
| SCHEMBL5137864 | 0.89 | C5AR1 (0.44) | C5AR1TSHRKDM4EALDH1A1CYP3A4 | |
| SCHEMBL650100 | 0.89 | C5AR1 (0.40) | C5AR1CRHR1DRD2DRD3CCR4 |
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 |