Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5021700 | 0.72 | NOS3 (0.46) | BCHEACHENOS3NOS1NOS2 | |
| SCHEMBL10039081 | 0.67 | MAPT (0.49) | BCHEACHENOS3NOS1NOS2 | |
| SCHEMBL13961627 | 0.67 | HRH4 (0.46) | BCHEACHENOS3NOS1NOS2 | |
| SCHEMBL2969026 | 0.65 | ESR1 (0.41) | — | |
| SCHEMBL30136580 | 0.65 | MAPT (0.53) | NOS3NOS1NOS2SIGMAR1TRPA1 | |
| SCHEMBL2433109 | 0.65 | MAPT (0.53) | NOS3NOS1NOS2SIGMAR1TRPA1 | |
| SCHEMBL4146483 | 0.65 | NISCH (0.39) | NOS3NOS1NOS2HRH4 | |
| SCHEMBL13987099 | 0.63 | NOS3 (0.38) | BCHEACHENOS3NOS1NOS2 | |
| SCHEMBL12541807 | 0.63 | NOS3 (0.38) | BCHEACHENOS3NOS1NOS2 | |
| SCHEMBL4738248 | 0.62 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6281352-B1 | ANTIINFLAMMATORY AGENTS | DUPONT PHARMACEUTICALS COMPANY | 2001-08-28 | — | — | US | disclosed |