Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 16/20 | 0.60 |
| ▸ | SLC6A4 | P31645 | 16/20 | 0.60 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 SCHEMBL8559271 | 0.99 | SLC6A2 (0.58) | SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2 | |
| SCHEMBL8970579 | 0.77 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2 | |
| SCHEMBL3467382 | 0.77 | SLC6A4 (0.77) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL3467378 | 0.77 | SLC6A4 (0.77) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL1981733 | 0.75 | SLC6A4 (1.00) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL3466313 | 0.75 | SLC6A4 (1.00) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL1981732 | 0.75 | SLC6A4 (1.00) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL3467709 | 0.74 | SLC6A4 (0.80) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL3467707 | 0.74 | SLC6A4 (0.80) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL3466791 | 0.73 | SLC6A4 (0.85) | SLC6A2SLC6A4SLC6A3CYP2D6 |
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 |