Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 15/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 15/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 15/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 12/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 12/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8564048 | 1.00 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL8580760 | 0.81 | PNMT (0.41) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL8062813 | 0.81 | PNMT (0.41) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL8062809 | 0.81 | PNMT (0.41) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL6579297 | 0.78 | SLC6A3 (0.40) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL4677515 | 0.78 | SLC6A3 (0.40) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL6577169 | 0.78 | SLC6A3 (0.40) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL7498979 | 0.74 | SLC6A2 (0.38) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL736454 | 0.74 | HTR1A (0.42) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL8105513 | 0.73 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 |
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-5607936-A | USEFUL IN TREATMENT OF RESPIRATORY DISEASES | MERCK & CO., INC. (US) | 1997-03-04 | — | — | US | disclosed |
| WO-1996010568-A1 | SUBSTITUTED ARYL PIPERAZINES AS NEUROKININ ANTAGONISTS | MERCK & CO., INC. (US) | 1996-04-11 | — | — | WO | disclosed |