Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9491754 | 0.79 | SLC6A3 (0.46) | SLC6A3SLC6A4SLC6A2CYP3A4CYP2D6 | |
| SCHEMBL8970528 | 0.72 | SLC6A2 (0.47) | SLC6A3SLC6A4SLC6A2CYP3A4CYP2D6 | |
| SCHEMBL8558548 | 0.71 | SLC6A3 (0.41) | SLC6A3SLC6A4SLC6A2CYP3A4CYP2D6 | |
| SCHEMBL30021683 | 0.69 | SLC6A3 (0.46) | SLC6A3SLC6A4SLC6A2CYP3A4CYP2D6 | |
| SCHEMBL4635974 | 0.69 | SLC6A4 (0.40) | SLC6A3SLC6A4SLC6A2CYP3A4CYP2D6 | |
| SCHEMBL4630832 | 0.69 | SLC6A3 (0.35) | SLC6A3SLC6A4SLC6A2ALDH1A1LMNA | |
| SCHEMBL14390616 | 0.68 | SLC6A3 (0.42) | SLC6A3SLC6A4SLC6A2CYP3A4CYP2D6 | |
| SCHEMBL9734799 | 0.68 | SLC6A3 (0.47) | SLC6A3SLC6A4SLC6A2CYP3A4CYP2D6 | |
| SCHEMBL4631310 | 0.67 | SLC6A3 (0.50) | SLC6A3SLC6A4SLC6A2CYP3A4CYP2D6 | |
| SCHEMBL3743873 | 0.67 | SLC6A3 (0.50) | SLC6A3SLC6A4SLC6A2ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-1995026338-A1 | NEUROKININ RECEPTOR ANTAGONISTS | SANOFI (FR) | 1995-10-05 | — | — | WO | disclosed |