Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 16/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 12/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 11/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8565271 | 0.81 | SLC6A2 (0.43) | SLC6A3SLC6A4SLC6A2CYP2D6KCNH2 | |
| SCHEMBL6950573 | 0.79 | TACR1 (0.39) | SLC6A3SLC6A4SLC6A2CYP2D6TACR1 | |
| SCHEMBL8310465 | 0.79 | SLC6A3 (0.37) | SLC6A3SLC6A4SLC6A2CYP2D6KCNH2 | |
| SCHEMBL7764201 | 0.77 | TACR1 (0.40) | SLC6A3SLC6A4SLC6A2CYP2D6TACR1 | |
| SCHEMBL7766689 | 0.76 | SLC6A3 (0.39) | SLC6A3SLC6A4SLC6A2CYP2D6TACR1 | |
| SCHEMBL8567221 | 0.75 | TACR1 (0.51) | TACR1 | |
| SCHEMBL6544366 | 0.75 | SLC6A3 (0.38) | SLC6A3SLC6A4SLC6A2CYP2D6TACR1 | |
| SCHEMBL8566696 | 0.74 | TACR1 (0.52) | TACR1 | |
| SCHEMBL8742512 | 0.72 | SLC6A3 (0.47) | SLC6A3SLC6A4SLC6A2CYP2D6KCNH2 | |
| SCHEMBL8315887 | 0.72 | SLC6A3 (0.38) | SLC6A3SLC6A4SLC6A2CYP2D6KCNH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5726313-A | Substituted arylaliphatic compounds, method of preparing them and pharmaceutical compositions in which they are present | SANOFI (FR) | 1998-03-10 | — | — | US | disclosed |
| EP-0700386-A1 | NEUROKININ RECEPTOR ANTAGONISTS | SANOFI (FR) | 1996-03-13 | — | — | EP | disclosed |
| WO-1995026338-A1 | NEUROKININ RECEPTOR ANTAGONISTS | SANOFI (FR) | 1995-10-05 | — | — | WO | disclosed |