Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 18/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 17/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.35 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2591486 | 0.91 | SLC6A4 (0.45) | SLC6A4SLC6A2KCNH2SLC6A3BTK | |
| SCHEMBL2533630 | 0.81 | KMO (0.37) | SLC6A3 | |
| SCHEMBL2582189 | 0.77 | CHRNB2 (0.40) | — | |
| SCHEMBL2531549 | 0.74 | RAB9A (0.45) | SLC6A2SLC6A3 | |
| SCHEMBL2531741 | 0.73 | ROCK2 (0.40) | MCHR1 | |
| SCHEMBL11026198 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL2535744 | 0.68 | ADRA1D (0.41) | — | |
| SCHEMBL3065694 | 0.67 | SLC6A4 (0.62) | SLC6A4SLC6A2KCNH2SLC6A3CYP2D6 | |
| SCHEMBL3065696 | 0.67 | SLC6A4 (0.62) | SLC6A4SLC6A2KCNH2SLC6A3CYP2D6 | |
| SCHEMBL27888392 | 0.67 | GAA (0.41) | SLC6A3 |
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-2558449-A1 | NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2013-02-20 | — | — | EP | disclosed |
| WO-2011128251-A1 | NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-20 | — | — | WO | disclosed |