Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 14/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 14/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 14/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 14/20 | 0.34 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2473117 | 0.88 | OPRM1 (0.36) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5064874 | 0.87 | CYP2D6 (0.38) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31663317 | 0.81 | CYP2D6 (0.32) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL13854455 | 0.80 | CYP4F2 (0.37) | CYP2D6SLC6A2SLC6A4SLC6A3CYP4F2 | |
| SCHEMBL2470817 | 0.80 | CYP4F2 (0.37) | CYP2D6SLC6A2SLC6A4SLC6A3CYP4F2 | |
| SCHEMBL20713831 | 0.78 | CYP3A4 (0.34) | CYP4F2CYP4A11 | |
| SCHEMBL14804610 | 0.75 | OPRM1 (0.38) | CYP2D6SLC6A2SLC6A4SLC6A3CYP4F2 | |
| SCHEMBL8516845 | 0.75 | OPRM1 (0.38) | CYP2D6SLC6A2SLC6A4SLC6A3CYP4F2 | |
| SCHEMBL25568333 | 0.75 | MAPT (0.31) | CYP4F2CYP4A11 | |
| SCHEMBL25568332 | 0.75 | MAPT (0.31) | CYP4F2CYP4A11 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105732636-B | Heteroaromatic compounds and their use in medicine | 广东东阳光药业有限公司 | 2020-04-21 | — | — | CN | disclosed |