Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 14/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 12/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.42 |
| ▸ | MBTPS1 | Q14703 | 5/20 | 0.41 |
| ▸ | F10 | P00742 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | REN | P00797 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1868079 | 0.75 | SLC6A4 (0.38) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL5506061 | 0.75 | SLC6A4 (0.38) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL1868080 | 0.75 | SLC6A4 (0.38) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL5506058 | 0.75 | SLC6A4 (0.38) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL6526760 | 0.73 | SLC6A4 (0.37) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL28482383 | 0.73 | MEN1 (0.42) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL20791408 | 0.71 | SLC6A4 (0.57) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL17868819 | 0.70 | SLC6A2 (0.57) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL5823064 | 0.69 | TACR1 (0.48) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 | |
| SCHEMBL16964830 | 0.69 | SLC6A4 (0.43) | SLC6A4SLC6A2SLC6A3CYP2D6KCNH2 |
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-2234999-A1 | HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2010-10-06 | — | — | EP | disclosed |
| WO-2009080533-A1 | HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-07-02 | — | — | WO | disclosed |