Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CDC25B | P30305 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1128825 | 0.91 | ALDH1A1 (0.56) | ALDH1A1MAPTPOLBCES2PTGDR2 | |
| SCHEMBL28746583 | 0.86 | ALDH1A1 (0.49) | ALDH1A1MAPTPOLBCES2MAPK1 | |
| Acetic Acid Methyl Ester SCHEMBL27802694 | 0.85 | ALDH1A1 (0.48) | ALDH1A1MAPTPOLBCES2PTGDR2 | |
| SCHEMBL27473292 | 0.84 | CTSD (0.50) | ALDH1A1MAPTPOLBMAPK1VCAM1 | |
| SCHEMBL28186277 | 0.82 | ALDH1A1 (0.53) | ALDH1A1MAPTPOLBCES2MAPK1 | |
| SCHEMBL27843015 | 0.80 | MAPT (0.45) | ALDH1A1MAPTPOLBCES2PTGDR2 | |
| Methyl Alcohol SCHEMBL28250655 | 0.80 | MAPT (0.60) | ALDH1A1MAPTPOLBCES2PTGDR2 | |
| SCHEMBL27907999 | 0.79 | CES2 (0.52) | ALDH1A1MAPTCES2MAPK1VCAM1 | |
| SCHEMBL7648939 | 0.78 | CES2 (0.71) | ALDH1A1MAPTPOLBCES2MAPK1 | |
| SCHEMBL27726293 | 0.78 | ALDH1A1 (0.49) | ALDH1A1MAPTPOLBCES2MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103917525-B | The inhibitor of LRRK2 kinase activity | 依兰制药公司 | 2016-08-17 | — | — | CN | disclosed |