Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 13/20 | 0.37 |
| ▸ | DRD2 | P14416 | 10/20 | 0.37 |
| ▸ | TLR4 | O00206 | 2/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6458305 | 1.00 | CYP3A4 (0.37) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6450764 | 0.93 | S1PR3 (0.43) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6450769 | 0.93 | S1PR3 (0.43) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6453661 | 0.91 | S1PR3 (0.47) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6453655 | 0.91 | S1PR3 (0.47) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6452816 | 0.91 | DRD3 (0.41) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6452811 | 0.91 | DRD3 (0.41) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6457294 | 0.90 | S1PR3 (0.48) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6454132 | 0.90 | S1PR3 (0.48) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6457300 | 0.90 | S1PR3 (0.48) | CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19 |
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 |