Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | UTS2R | Q9UKP6 | 4/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4292811 | 0.84 | SLC6A4 (0.51) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL4286379 | 0.83 | SLC6A4 (0.47) | SLC6A3SLC6A4SLC6A2HTT | |
| SCHEMBL4292808 | 0.76 | SLC6A3 (0.45) | SLC6A3SLC6A4SLC6A2UTS2RHTT | |
| SCHEMBL4288939 | 0.76 | TSHR (0.44) | SLC6A3SLC6A4SLC6A2HTT | |
| SCHEMBL4285849 | 0.75 | SLC6A4 (0.47) | SLC6A3SLC6A4SLC6A2OPRK1 | |
| SCHEMBL4288935 | 0.68 | TSHR (0.39) | SLC6A3SLC6A4SLC6A2HTT | |
| SCHEMBL4294072 | 0.67 | CHRNB4 (0.41) | OPRK1 | |
| SCHEMBL4285848 | 0.67 | SLC6A2 (0.42) | SLC6A3SLC6A4SLC6A2HTT | |
| SCHEMBL4291624 | 0.67 | HCRTR2 (0.42) | OPRK1 | |
| SCHEMBL10192778 | 0.66 | SLC6A2 (0.45) | SLC6A3SLC6A4SLC6A2CYP2D6 |
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-2009072643-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-06-11 | — | — | WO | disclosed |