Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 17/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 16/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 13/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL331250 | 1.00 | SLC6A4 (0.50) | SLC6A4SLC6A2SLC6A3CYP3A4KCNH2 | |
| SCHEMBL330582 | 0.90 | TACR1 (0.41) | SLC6A4SLC6A2SLC6A3CYP3A4KCNH2 | |
| SCHEMBL330583 | 0.90 | TACR1 (0.41) | SLC6A4SLC6A2SLC6A3CYP3A4KCNH2 | |
| SCHEMBL4772002 | 0.85 | SLC6A4 (0.48) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| SCHEMBL331832 | 0.85 | SLC6A4 (0.48) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| SCHEMBL7343934 | 0.84 | SLC6A2 (0.51) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| SCHEMBL331239 | 0.82 | SLC6A2 (0.48) | SLC6A4SLC6A2SLC6A3CYP3A4KCNH2 | |
| SCHEMBL4766461 | 0.82 | SLC6A2 (0.48) | SLC6A4SLC6A2SLC6A3CYP3A4KCNH2 | |
| SCHEMBL330844 | 0.80 | SLC6A4 (0.50) | SLC6A4SLC6A2SLC6A3CYP3A4KCNH2 | |
| SCHEMBL330845 | 0.80 | SLC6A4 (0.50) | SLC6A4SLC6A2SLC6A3CYP3A4KCNH2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2008540329-A | — | — | 2008-11-20 | — | — | JP | claimed |
| EP-1881975-A1 | N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-01-30 | — | — | EP | claimed |
| WO-2006121218-A1 | N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2006-11-16 | — | — | WO | claimed |
| EP-1881975-A1 | N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-01-30 | — | — | EP | disclosed |
| WO-2006121218-A1 | N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2006-11-16 | — | — | WO | disclosed |