Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 19/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 13/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 11/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9318198 | 0.85 | SLC6A3 (0.46) | SLC6A3SLC6A4SLC6A2CYP3A4CYP2D6 | |
| SCHEMBL8563823 | 0.84 | SLC6A3 (0.46) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL8561661 | 0.82 | SLC6A3 (0.51) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL8782641 | 0.81 | SLC6A3 (0.46) | SLC6A3SLC6A4SLC6A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL8369516 | 0.80 | SLC6A3 (0.45) | SLC6A3SLC6A4SLC6A2CYP3A4CYP2D6 | |
| SCHEMBL7305694 | 0.79 | SLC6A3 (0.44) | SLC6A3SLC6A4SLC6A2CYP3A4CYP2D6 | |
| SCHEMBL8969759 | 0.76 | SLC6A3 (0.42) | SLC6A3SLC6A4SLC6A2CYP3A4CYP2D6 | |
| Acetonitrile SCHEMBL8290901 | 0.76 | SLC6A3 (0.47) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL8125695 | 0.75 | SLC6A3 (0.47) | SLC6A3SLC6A4SLC6A2 | |
| SCHEMBL4631275 | 0.74 | SLC6A3 (0.50) | SLC6A3SLC6A4SLC6A2 |
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 |