Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.42 |
| ▸ | LSS | P48449 | 2/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 3/20 | 0.36 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 3/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.34 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7204853 | 0.90 | LSS (0.46) | HTR2ALSSPTGDR2KCNH2GPR119 | |
| SCHEMBL7204847 | 0.90 | LSS (0.46) | HTR2ALSSPTGDR2KCNH2GPR119 | |
| SCHEMBL4797970 | 0.80 | LSS (0.58) | HTR2ALSSPTGDR2 | |
| SCHEMBL4797966 | 0.80 | LSS (0.58) | HTR2ALSSPTGDR2 | |
| SCHEMBL27578416 | 0.77 | LSS (0.44) | HTR2ALSSPTGDR2KCNH2GPR119 | |
| SCHEMBL27578415 | 0.77 | LSS (0.44) | HTR2ALSSPTGDR2KCNH2GPR119 | |
| SCHEMBL7206605 | 0.77 | LSS (0.50) | HTR2ALSSPTGDR2KCNH2ALDH1A1 | |
| SCHEMBL7206600 | 0.77 | LSS (0.50) | HTR2ALSSPTGDR2KCNH2ALDH1A1 | |
| SCHEMBL7208943 | 0.76 | LSS (0.45) | HTR2ALSS | |
| SCHEMBL7206164 | 0.75 | MCHR1 (0.46) | LSS |
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-1311475-A1 | NOVEL AMINOCYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-05-21 | — | — | EP | disclosed |
| WO-2002014267-A1 | NOVEL AMINOCYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-02-21 | — | — | WO | disclosed |