Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4764487 | 0.95 | C5AR1 (0.43) | C5AR1P2RX7ESR1PDK1TSHR | |
| SCHEMBL5074977 | 0.93 | C5AR1 (0.39) | C5AR1P2RX7ESR1TSHRCRHR1 | |
| SCHEMBL5136841 | 0.90 | C5AR1 (0.39) | C5AR1PDK1TSHR | |
| SCHEMBL5138072 | 0.90 | C5AR1 (0.43) | C5AR1P2RX7ESR1TSHRCRHR1 | |
| SCHEMBL648124 | 0.88 | C5AR1 (0.40) | C5AR1ESR1CRHR1 | |
| SCHEMBL5136216 | 0.88 | C5AR1 (0.41) | C5AR1 | |
| SCHEMBL5137492 | 0.87 | C5AR1 (0.42) | C5AR1P2RX7ESR1TSHRCRHR1 | |
| SCHEMBL4766462 | 0.86 | TLR7 (0.41) | C5AR1ESR1PDK1NR1H2 | |
| SCHEMBL5136565 | 0.86 | BCL2L2 (0.36) | C5AR1PDK1TSHR | |
| SCHEMBL5137363 | 0.86 | C5AR1 (0.44) | C5AR1TSHRCRHR1 |
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 |