Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 11/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 11/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | CCR5 | P51681 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10052521 | 0.99 | SLC6A4 (0.51) | SLC6A4SLC6A3SLC6A2CYP2D6KCNH2 | |
| SCHEMBL14983877 | 0.99 | SLC6A4 (0.51) | SLC6A4SLC6A3SLC6A2CYP2D6KCNH2 | |
| SCHEMBL7901444 | 0.91 | SLC6A4 (0.42) | SLC6A4SLC6A3SLC6A2CYP2D6KCNH2 | |
| SCHEMBL14983866 | 0.91 | SLC6A4 (0.42) | SLC6A4SLC6A3SLC6A2CYP2D6KCNH2 | |
| SCHEMBL7905852 | 0.91 | SLC6A4 (0.42) | SLC6A4SLC6A3SLC6A2CYP2D6KCNH2 | |
| SCHEMBL17452489 | 0.91 | SLC6A4 (0.42) | SLC6A4SLC6A3SLC6A2CYP2D6KCNH2 | |
| SCHEMBL7899969 | 0.91 | SLC6A4 (0.42) | SLC6A4SLC6A3SLC6A2CYP2D6KCNH2 | |
| SCHEMBL10052506 | 0.91 | SLC6A4 (0.42) | SLC6A4SLC6A3SLC6A2CYP2D6KCNH2 | |
| SCHEMBL10052505 | 0.91 | SLC6A4 (0.42) | SLC6A4SLC6A3SLC6A2CYP2D6KCNH2 | |
| SCHEMBL10052507 | 0.91 | SLC6A4 (0.42) | SLC6A4SLC6A3SLC6A2CYP2D6KCNH2 |
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-2010091268-A1 | PYRROLIDINE TRIPLE REUPTAKE INHIBITORS | SEPRACOR INC. (US) | 2010-08-12 | — | — | WO | disclosed |