Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 6/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.40 |
| ▸ | NOS2 | P35228 | 7/20 | 0.37 |
| ▸ | NOS3 | P29474 | 5/20 | 0.37 |
| ▸ | NOS1 | P29475 | 5/20 | 0.37 |
| ▸ | HTR6 | P50406 | 2/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3973243 | 0.90 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3NOS2NOS3 | |
| SCHEMBL3976469 | 0.87 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3NOS2NOS3 | |
| SCHEMBL3970388 | 0.87 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3NOS2NOS3 | |
| SCHEMBL3971153 | 0.84 | SLC6A4 (0.52) | SLC6A2SLC6A4SLC6A3NOS2NOS3 | |
| SCHEMBL3978586 | 0.83 | PROKR1 (0.41) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3971824 | 0.79 | NOS2 (0.41) | SLC6A2SLC6A4SLC6A3NOS2NOS3 | |
| SCHEMBL4702470 | 0.79 | SLC6A4 (0.48) | SLC6A2SLC6A4SLC6A3HTR6IKBKB | |
| SCHEMBL3927956 | 0.78 | SLC6A4 (0.39) | SLC6A2SLC6A4SLC6A3HTR6IKBKB | |
| SCHEMBL4701500 | 0.78 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3NOS2NOS3 | |
| SCHEMBL3973823 | 0.77 | SLC6A4 (0.40) | SLC6A2SLC6A4SLC6A3HTR6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2054385-A2 | PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2009-05-06 | — | — | EP | claimed |
| WO-2008019967-A2 | PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-02-21 | — | — | WO | claimed |
| EP-2054385-A2 | PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2009-05-06 | — | — | EP | disclosed |
| WO-2008019967-A2 | PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-02-21 | — | — | WO | disclosed |