Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | SMO | Q99835 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.35 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.35 |
| ▸ | MELK | Q14680 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | PTPN7 | P35236 | 2/20 | 0.34 |
| ▸ | DUSP3 | P51452 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8034159 | 0.95 | ALDH1A1 (0.44) | GFERALDH1A1MAPTGAAHTT | |
| SCHEMBL8031681 | 0.83 | LRRK2 (0.38) | LRRK2APPPDE4BALDH1A1GAA | |
| SCHEMBL8031695 | 0.82 | ALDH1A1 (0.43) | GFERALDH1A1MAPTGAAHTT | |
| SCHEMBL8032092 | 0.82 | ALDH1A1 (0.44) | GFERALDH1A1MAPTGAAHTT | |
| SCHEMBL8035584 | 0.81 | LRRK2 (0.36) | LRRK2APPPDE4BALDH1A1GAA | |
| SCHEMBL8039007 | 0.81 | PTGES (0.41) | ALDH1A1MAPTGAAHTTLMNA | |
| SCHEMBL8039269 | 0.80 | ALDH1A1 (0.43) | APPALDH1A1LMNAKDM4EHPGD | |
| SCHEMBL8032035 | 0.80 | APP (0.40) | APPALDH1A1MAPTGAALMNA | |
| SCHEMBL8035765 | 0.79 | APP (0.38) | LRRK2APPALDH1A1MAPTGAA | |
| SCHEMBL8040252 | 0.79 | ALDH1A1 (0.41) | LRRK2PDE4BALDH1A1MAPTGAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009081892-A1 | NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THOSE | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2009-07-02 | — | — | WO | disclosed |