Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 5/20 | 0.38 |
| ▸ | DRD3 | P35462 | 4/20 | 0.38 |
| ▸ | DRD4 | P21917 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5216109 | 1.00 | ALDH1A1 (0.43) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 | |
| SCHEMBL5222422 | 0.91 | ALDH1A1 (0.44) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 | |
| SCHEMBL5217916 | 0.89 | ALDH1A1 (0.44) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 | |
| SCHEMBL6803033 | 0.89 | ALDH1A1 (0.44) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 | |
| SCHEMBL5218975 | 0.88 | DRD2 (0.54) | DRD2DRD3DRD4 | |
| SCHEMBL5219121 | 0.88 | DRD2 (0.54) | DRD2DRD3DRD4 | |
| SCHEMBL6804003 | 0.84 | DRD2 (0.40) | ALDH1A1CYP2D6CYP2C9FYNDRD2 | |
| SCHEMBL5215805 | 0.84 | DRD2 (0.40) | ALDH1A1CYP2D6CYP2C9FYNDRD2 | |
| SCHEMBL5220476 | 0.83 | ALDH1A1 (0.46) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 | |
| SCHEMBL5218854 | 0.83 | ALDH1A1 (0.46) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 |
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-6806278-B2 | SUCH AS (4-((6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPYL-AMINO) -PIPERIDIN-1-YL)(4-METHYL-PIPERAZIN-1-YL)-METHANONE; SMOOTH MUSCLE AND RESPIRATORY DISORDERS | SYNTEX (U.S.A.) LLC | 2004-10-19 | — | — | US | claimed |