Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 5/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.33 |
| ▸ | SCN2B | O60939 | 2/20 | 0.32 |
| ▸ | SCN1B | Q07699 | 2/20 | 0.32 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.32 |
| ▸ | SCN1A | P35498 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12467558 | 0.89 | CYP2D6 (0.35) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL12467554 | 0.88 | CYP2D6 (0.32) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11029154 | 0.86 | SCN2B (0.35) | SCN9ASCN2BSCN1BSCN5ASCN1A | |
| SCHEMBL11027013 | 0.82 | SCN9A (0.35) | SCN9ASCN2BSCN1BSCN5ASCN1A | |
| SCHEMBL11026324 | 0.81 | CYP2C19 (0.38) | SCN9ASCN2BSCN1BSCN5A | |
| SCHEMBL11026405 | 0.79 | SCN9A (0.35) | SCN9ASCN2BSCN1BSCN5ASCN1A | |
| SCHEMBL11027159 | 0.79 | MEN1 (0.37) | SCN9ASCN2BSCN1BSCN5A | |
| SCHEMBL11026178 | 0.76 | HTR7 (0.34) | SCN9ASCN2BSCN1BSCN5A | |
| SCHEMBL11940912 | 0.74 | SCN9A (0.38) | SCN9ASCN2BSCN1BSCN5ASCN1A | |
| SCHEMBL11027406 | 0.73 | TP53 (0.36) | — |
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-2668165-A1 | NOVEL TETRAHYDROQUINOLINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-12-04 | — | — | EP | claimed |
| WO-2012101068-A1 | NOVEL TETRAHYDROQUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-02 | — | — | WO | claimed |
| EP-2668165-A1 | NOVEL TETRAHYDROQUINOLINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-12-04 | — | — | EP | disclosed |
| WO-2012101068-A1 | NOVEL TETRAHYDROQUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-02 | — | — | WO | disclosed |