Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8970630 | 0.82 | SLC6A3 (0.41) | SLC6A3SLC6A2SLC6A4KDM4CNPC1 | |
| SCHEMBL8969759 | 0.81 | SLC6A3 (0.42) | SLC6A3SLC6A2SLC6A4KDM4CNPC1 | |
| SCHEMBL4630703 | 0.80 | SLC6A3 (0.45) | SLC6A3SLC6A2SLC6A4KDM4CNPC1 | |
| SCHEMBL4631262 | 0.78 | SLC6A3 (0.43) | SLC6A3SLC6A2SLC6A4KDM4CNPC1 | |
| SCHEMBL8971569 | 0.75 | SLC6A3 (0.43) | SLC6A3SLC6A2SLC6A4MEN1KMT2A | |
| Acetonitrile SCHEMBL8290901 | 0.74 | SLC6A3 (0.47) | SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL8120273 | 0.74 | SLC6A3 (0.46) | SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL9053699 | 0.74 | SLC6A3 (0.44) | SLC6A3SLC6A2SLC6A4KDM4CNPC1 | |
| SCHEMBL8316137 | 0.73 | SLC6A3 (0.45) | SLC6A3SLC6A2SLC6A4KDM4CNPC1 | |
| SCHEMBL4631275 | 0.73 | SLC6A3 (0.50) | SLC6A3SLC6A2SLC6A4 |
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 |