Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.52 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.52 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22534020 | 0.76 | MAOB (0.60) | SCN9ASCN3A | |
| SCHEMBL8259095 | 0.75 | EP300 (0.46) | SMYD3NAMPTPIM1PIM2 | |
| SCHEMBL14720114 | 0.74 | SMYD3 (0.58) | SMYD3NAMPT | |
| SCHEMBL8260024 | 0.73 | ALOX15 (0.59) | — | |
| SCHEMBL8260020 | 0.73 | PYGL (0.57) | SMYD3 | |
| SCHEMBL8259426 | 0.72 | ALDH1A1 (0.55) | SMYD3 | |
| SCHEMBL8257982 | 0.72 | GAA (0.52) | SMYD3NAMPT | |
| SCHEMBL21225330 | 0.72 | CHRM1 (0.45) | SMYD3 | |
| SCHEMBL21225177 | 0.72 | CHRM1 (0.45) | SMYD3 | |
| SCHEMBL21225176 | 0.72 | CHRM1 (0.45) | SMYD3 |
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-7820699-B2 | Cyclic amines | HOFFMANN-LA ROCHE INC. (US) | 2010-10-26 | — | — | US | disclosed |
| US-7820699-B2 | Cyclic amines | HOFFMANN-LA ROCHE INC. (US) | 2010-10-26 | — | — | US | disclosed |
| WO-2006114401-A2 | NOVEL CYCLIC AMINES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-11-02 | — | — | WO | disclosed |