Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 16/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 16/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 14/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
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 | 0.85 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3CYP2D6CYP1A1 | |
| SCHEMBL7077339 | 0.83 | SLC6A4 (0.57) | SLC6A2SLC6A4SLC6A3CYP2D6CYP1A1 | |
| SCHEMBL8290900 | 0.81 | SLC6A4 (0.55) | SLC6A2SLC6A4SLC6A3CYP2D6CYP1A1 | |
| SCHEMBL8452305 | 0.80 | SLC6A4 (0.58) | SLC6A2SLC6A4SLC6A3CYP2D6CYP1A1 | |
| SCHEMBL6957304 | 0.80 | SLC6A2 (0.50) | SLC6A2SLC6A4SLC6A3CYP2D6CYP1A1 | |
| SCHEMBL7751548 | 0.78 | SLC6A4 (0.56) | SLC6A2SLC6A4SLC6A3CYP2D6CYP1A1 | |
| SCHEMBL7947168 | 0.78 | SLC6A2 (0.48) | SLC6A2SLC6A4SLC6A3CYP2D6CYP1A1 | |
| SCHEMBL8970530 | 0.77 | SLC6A2 (0.60) | SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2 | |
| SCHEMBL8291781 | 0.77 | SLC6A3 (0.46) | SLC6A2SLC6A4SLC6A3CYP2D6CYP1A1 | |
| Hydrochloric Acid SCHEMBL8559271 | 0.76 | SLC6A2 (0.58) | SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2 |
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 1 patent. 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 |