Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 14/20 | 0.36 |
| ▸ | DRD2 | P14416 | 13/20 | 0.36 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.32 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6453181 | 1.00 | CYP1A2 (0.40) | CYP1A2CYP11B1CYP11B2DRD3DRD2 | |
| SCHEMBL6456681 | 0.91 | DRD3 (0.36) | CYP1A2CYP11B1CYP11B2DRD3DRD2 | |
| SCHEMBL6456685 | 0.91 | DRD3 (0.36) | CYP1A2CYP11B1CYP11B2DRD3DRD2 | |
| SCHEMBL6454298 | 0.90 | DRD3 (0.41) | CYP1A2CYP11B1CYP11B2DRD3DRD2 | |
| SCHEMBL6454304 | 0.90 | DRD3 (0.41) | CYP1A2CYP11B1CYP11B2DRD3DRD2 | |
| SCHEMBL6455788 | 0.90 | DRD2 (0.37) | CYP1A2CYP11B1CYP11B2DRD3DRD2 | |
| SCHEMBL6455791 | 0.90 | DRD2 (0.37) | CYP1A2CYP11B1CYP11B2DRD3DRD2 | |
| SCHEMBL6454115 | 0.89 | S1PR1 (0.37) | DRD3DRD2 | |
| SCHEMBL6454114 | 0.89 | S1PR1 (0.37) | DRD3DRD2 | |
| SCHEMBL6458314 | 0.88 | DRD2 (0.33) | CYP1A2CYP11B1CYP11B2DRD3DRD2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6913797-B1 | Decahydronaphthalene derivative | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2005-07-05 | — | — | US | disclosed |
| EP-1108700-A1 | DECAHYDRONAPHTHALENE DERIVATIVE | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2001-06-20 | — | — | EP | disclosed |