Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 19/20 | 0.63 |
| ▸ | SLC6A4 | P31645 | 17/20 | 0.63 |
| ▸ | SLC6A2 | P23975 | 15/20 | 0.63 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5433219 | 0.95 | SLC6A3 (0.60) | SLC6A3SLC6A4SLC6A2KCNH2 | |
| SCHEMBL5141685 | 0.84 | SLC6A3 (0.62) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL5086379 | 0.82 | SLC6A3 (0.63) | SLC6A3SLC6A4SLC6A2KCNH2 | |
| SCHEMBL3869435 | 0.81 | SLC6A3 (0.54) | SLC6A3SLC6A4SLC6A2KCNH2 | |
| SCHEMBL5089570 | 0.81 | SLC6A4 (0.73) | SLC6A3SLC6A4SLC6A2 | |
| Hydrochloric Acid SCHEMBL5312255 | 0.80 | SLC6A3 (0.52) | SLC6A3SLC6A4SLC6A2KCNH2 | |
| SCHEMBL872307 | 0.80 | SLC6A3 (0.61) | SLC6A3SLC6A4SLC6A2 | |
| Hydrochloric Acid SCHEMBL5079934 | 0.79 | SLC6A3 (0.51) | SLC6A3SLC6A4SLC6A2KCNH2 | |
| SCHEMBL5142240 | 0.79 | SLC6A4 (0.69) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL3520161 | 0.78 | SLC6A4 (1.00) | SLC6A3SLC6A4SLC6A2 |
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 |