Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | SLC9A3 | P48764 | 1/20 | 0.36 |
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 SCHEMBL330567 | 0.99 | PTGS2 (0.43) | PTGS2PTGS1ALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL332130 | 0.84 | SLC6A4 (0.39) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL332132 | 0.84 | SLC6A4 (0.39) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL330711 | 0.79 | CYP3A4 (0.48) | ALDH1A1CYP3A4KCNH2 | |
| SCHEMBL330630 | 0.77 | TACR1 (0.37) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL20491593 | 0.77 | TACR1 (0.35) | SLC6A2SLC6A4CYP3A4SLC6A3CYP2D6 | |
| SCHEMBL330463 | 0.77 | TACR1 (0.37) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL330464 | 0.77 | TACR1 (0.37) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL330631 | 0.77 | TACR1 (0.37) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 | |
| SCHEMBL330590 | 0.77 | TACR1 (0.35) | SLC6A2SLC6A4CYP3A4SLC6A3CYP2D6 |
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-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 |