Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 2/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 5/20 | 0.32 |
| ▸ | DRD3 | P35462 | 5/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | MCHR1 | Q99705 | 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 | |
|---|---|---|---|---|
| SCHEMBL6451647 | 1.00 | TLR4 (0.36) | TLR4HTR1DHTR1BFYNHSD17B2 | |
| SCHEMBL6457289 | 0.92 | CYP3A4 (0.36) | HTR1DHTR1BDRD2DRD3CYP3A4 | |
| SCHEMBL6457297 | 0.92 | CYP3A4 (0.36) | HTR1DHTR1BDRD2DRD3CYP3A4 | |
| SCHEMBL6456835 | 0.91 | CYP3A4 (0.40) | HTR1DHTR1BDRD2DRD3CYP3A4 | |
| SCHEMBL6456840 | 0.91 | CYP3A4 (0.40) | HTR1DHTR1BDRD2DRD3CYP3A4 | |
| SCHEMBL6457622 | 0.90 | S1PR3 (0.42) | HTR1DHTR1BCYP3A4CYP2C8CYP2D6 | |
| SCHEMBL6462317 | 0.90 | S1PR3 (0.42) | HTR1DHTR1BCYP3A4CYP2C8CYP2D6 | |
| SCHEMBL6457627 | 0.90 | S1PR3 (0.42) | HTR1DHTR1BCYP3A4CYP2C8CYP2D6 | |
| SCHEMBL6462320 | 0.90 | S1PR3 (0.42) | HTR1DHTR1BCYP3A4CYP2C8CYP2D6 | |
| SCHEMBL6452375 | 0.89 | ALDH1A1 (0.33) | HTR1DHTR1BDRD2DRD3CYP3A4 |
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 |