Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 19/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 16/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CCR2 | P41597 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3521657 | 1.00 | SLC6A3 (0.56) | SLC6A3SLC6A4SLC6A2CYP3A4CYP2D6 | |
| SCHEMBL3521655 | 1.00 | SLC6A3 (0.56) | SLC6A3SLC6A4SLC6A2CYP3A4CYP2D6 | |
| SCHEMBL3516424 | 1.00 | SLC6A3 (0.56) | SLC6A3SLC6A4SLC6A2CYP3A4CYP2D6 | |
| SCHEMBL3516421 | 1.00 | SLC6A3 (0.56) | SLC6A3SLC6A4SLC6A2CYP3A4CYP2D6 | |
| SCHEMBL3516420 | 1.00 | SLC6A3 (0.56) | SLC6A3SLC6A4SLC6A2CYP3A4CYP2D6 | |
| SCHEMBL3519132 | 0.88 | SLC6A3 (0.56) | SLC6A3SLC6A4SLC6A2CYP3A4CYP2C19 | |
| SCHEMBL3521370 | 0.88 | SLC6A3 (0.56) | SLC6A3SLC6A4SLC6A2CYP3A4CYP2C19 | |
| SCHEMBL3519135 | 0.88 | SLC6A3 (0.56) | SLC6A3SLC6A4SLC6A2CYP3A4CYP2C19 | |
| SCHEMBL3521373 | 0.88 | SLC6A3 (0.56) | SLC6A3SLC6A4SLC6A2CYP3A4CYP2C19 | |
| SCHEMBL3519139 | 0.88 | SLC6A3 (0.56) | SLC6A3SLC6A4SLC6A2CYP3A4CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1976513-A2 | CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS | Sepracor, Inc. (US) | 2008-10-08 | — | — | EP | disclosed |
| WO-2007081857-A2 | CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS | SEPRACOR INC. (US) | 2007-07-19 | — | — | WO | disclosed |