Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 12/20 | 0.40 |
| ▸ | CA1 | P00915 | 11/20 | 0.40 |
| ▸ | CA2 | P00918 | 11/20 | 0.40 |
| ▸ | CA4 | P22748 | 4/20 | 0.39 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL649150 | 0.91 | C5AR1 (0.41) | C5AR1CA12CA1CA2CA4 | |
| SCHEMBL650800 | 0.91 | C5AR1 (0.45) | C5AR1CA12CA1CA2CA4 | |
| SCHEMBL5134923 | 0.91 | CA12 (0.41) | C5AR1CA12CA1CA2CA4 | |
| SCHEMBL5633469 | 0.91 | CA12 (0.41) | C5AR1CA12CA1CA2CA4 | |
| SCHEMBL649778 | 0.90 | C5AR1 (0.40) | C5AR1CA12CA1CA2CA4 | |
| SCHEMBL649773 | 0.90 | C5AR1 (0.42) | C5AR1CA12CA1CA2CA4 | |
| SCHEMBL5135444 | 0.90 | C5AR1 (0.47) | C5AR1TSHR | |
| SCHEMBL5138126 | 0.89 | CA2 (0.41) | C5AR1CA12CA1CA2CA4 | |
| SCHEMBL647835 | 0.88 | C5AR1 (0.42) | C5AR1CA12CA1CA2CA4 | |
| SCHEMBL1912982 | 0.86 | TRPM8 (0.44) | C5AR1PTGS1PTGS2 |
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 |