Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.37 |
| ▸ | SGPL1 | O95470 | 2/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | HTR1B | P28222 | 1/20 | 0.32 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.31 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.31 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.31 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.31 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.31 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL6456840 | 1.00 | CYP3A4 (0.40) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL6462320 | 0.99 | S1PR3 (0.42) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL6457627 | 0.99 | S1PR3 (0.42) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL6457622 | 0.99 | S1PR3 (0.42) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL6462317 | 0.99 | S1PR3 (0.42) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL6457297 | 0.96 | CYP3A4 (0.36) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL6457289 | 0.96 | CYP3A4 (0.36) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL6451651 | 0.91 | TLR4 (0.36) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL6451647 | 0.91 | TLR4 (0.36) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL6453655 | 0.87 | S1PR3 (0.47) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 |
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 |