Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 14/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 14/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 14/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 13/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL2298802 | 1.00 | SLC6A2 (0.36) | SLC6A2SLC6A4SLC6A3CYP2D6CYP4F2 | |
| SCHEMBL4334068 | 0.91 | CYP2C19 (0.39) | SLC6A2SLC6A4SLC6A3CYP4F2CYP4A11 | |
| SCHEMBL29156971 | 0.84 | CYP4F2 (0.38) | SLC6A2SLC6A4SLC6A3CYP2D6CYP4F2 | |
| SCHEMBL5634801 | 0.83 | CYP2D6 (0.38) | SLC6A2SLC6A4SLC6A3CYP2D6CYP4F2 | |
| SCHEMBL14793150 | 0.78 | CYP2D6 (0.39) | SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19 | |
| SCHEMBL25273742 | 0.77 | CYP4F2 (0.37) | SLC6A2SLC6A4SLC6A3CYP2D6CYP4F2 | |
| SCHEMBL7470646 | 0.77 | CYP2D6 (0.36) | SLC6A2SLC6A4SLC6A3CYP2D6CYP4F2 | |
| SCHEMBL28170312 | 0.76 | CYP4F2 (0.36) | SLC6A2SLC6A4SLC6A3CYP2D6CYP4F2 | |
| SCHEMBL17395386 | 0.76 | CYP2C19 (0.32) | CYP4F2CYP4A11CYP2C19 | |
| SCHEMBL27435858 | 0.76 | CYP4F2 (0.36) | SLC6A2SLC6A4SLC6A3CYP2D6CYP4F2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009132202-A2 | MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | INCYTE CORPORATION (US) | 2009-10-29 | — | — | WO | disclosed |