Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 20/20 | 0.62 |
| ▸ | SLC6A2 | P23975 | 19/20 | 0.62 |
| ▸ | SLC6A3 | Q01959 | 19/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL635216 | 1.00 | SLC6A4 (0.62) | SLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL635217 | 1.00 | SLC6A4 (0.62) | SLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL635218 | 1.00 | SLC6A4 (0.62) | SLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL634735 | 0.94 | SLC6A2 (0.71) | SLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL634734 | 0.94 | SLC6A2 (0.71) | SLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL634736 | 0.94 | SLC6A2 (0.71) | SLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL634737 | 0.94 | SLC6A2 (0.71) | SLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL635586 | 0.94 | SLC6A2 (0.55) | SLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL635585 | 0.94 | SLC6A2 (0.55) | SLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL635584 | 0.94 | SLC6A2 (0.55) | SLC6A4SLC6A2SLC6A3CYP2D6 |
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-2419405-A1 | 3-(PHENOXYPYRROLIDIN-3-YL-METHYL)HETEROARYL, 3-(PHENYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL, AND 3-(HETEROARYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL COMPOUNDS | Theravance, Inc. (US) | 2012-02-22 | — | — | EP | disclosed |
| WO-2010120910-A1 | 3-(PHENOXYPYRROLIDIN-3-YL-METHYL)HETEROARYL, 3-(PHENYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL, AND 3-(HETEROARYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL COMPOUNDS | THERAVANCE, INC. (US) | 2010-10-21 | — | — | WO | disclosed |