Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | EBP | Q15125 | 1/20 | 0.34 |
| ▸ | FKBP1A | P62942 | 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 | |
|---|---|---|---|---|
| SCHEMBL7204206 | 0.90 | L3MBTL1 (0.37) | SIGMAR1ALDH1A1HPGD | |
| SCHEMBL7206925 | 0.90 | L3MBTL1 (0.37) | SIGMAR1ALDH1A1HPGD | |
| SCHEMBL7208512 | 0.90 | L3MBTL1 (0.37) | SIGMAR1ALDH1A1HPGD | |
| SCHEMBL4809529 | 0.88 | LSS (0.45) | SIGMAR1OPRM1OPRK1OPRD1 | |
| SCHEMBL7211896 | 0.86 | ADH1C (0.33) | — | |
| SCHEMBL7203078 | 0.85 | ADRB2 (0.38) | SIGMAR1HPGD | |
| SCHEMBL7205218 | 0.85 | ADRB2 (0.38) | SIGMAR1HPGD | |
| SCHEMBL7206862 | 0.83 | HPGD (0.52) | SIGMAR1ALDH1A1HPGDTHRATHRB | |
| SCHEMBL7206868 | 0.83 | HPGD (0.52) | SIGMAR1ALDH1A1HPGDTHRATHRB | |
| SCHEMBL7210589 | 0.82 | HPGD (0.53) | SIGMAR1ALDH1A1HPGD |
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 |