Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6457253 | 1.00 | AKR1C3 (0.42) | AKR1C3AKR1C1DRD2KDM4EDRD1 | |
| SCHEMBL6457260 | 1.00 | AKR1C3 (0.42) | AKR1C3AKR1C1DRD2KDM4EDRD1 | |
| SCHEMBL9330365 | 0.89 | AKR1C3 (0.47) | AKR1C3AKR1C1DRD2KDM4E | |
| SCHEMBL6456094 | 0.87 | CYP2C9 (0.43) | AKR1C3AKR1C1DRD2DRD1DRD4 | |
| SCHEMBL6456090 | 0.87 | CYP2C9 (0.43) | AKR1C3AKR1C1DRD2DRD1DRD4 | |
| SCHEMBL11031253 | 0.87 | CYP2C9 (0.43) | AKR1C3AKR1C1DRD2DRD1DRD4 | |
| SCHEMBL11029513 | 0.85 | ESR2 (0.35) | — | |
| SCHEMBL6451908 | 0.84 | DRD2 (0.40) | DRD2 | |
| SCHEMBL6451911 | 0.84 | DRD2 (0.40) | DRD2 | |
| SCHEMBL11029706 | 0.84 | DRD2 (0.40) | DRD2 |
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-4432885-A | Decalins | HOFFMANN-LA ROCHE INC. (US) | 1984-02-21 | — | — | US | disclosed |