Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 19/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 19/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 14/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.55 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 SCHEMBL7674030 | 0.98 | SLC6A2 (0.58) | SLC6A2SLC6A4SLC6A3CYP2D6CYP1A1 | |
| SCHEMBL3113916 | 0.90 | SLC6A2 (0.55) | SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2 | |
| Hydrochloric Acid SCHEMBL29087285 | 0.89 | SLC6A2 (0.54) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| Hydrochloric Acid SCHEMBL30596340 | 0.89 | SLC6A2 (0.54) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL4520209 | 0.86 | SLC6A4 (0.46) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL9312205 | 0.83 | OPRM1 (0.51) | SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL2270628 | 0.82 | OPRM1 (0.50) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL654759 | 0.80 | DRD2 (0.65) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL8959998 | 0.79 | SLC6A3 (0.42) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL13971131 | 0.79 | SLC6A4 (0.56) | SLC6A2SLC6A4SLC6A3CYP2D6KCNH2 |
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-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 |