Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 5/20 | 0.48 |
| ▸ | GAA | P10253 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 2/20 | 0.36 |
| ▸ | CASP7 | P55210 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22890502 | 0.84 | LRRK2 (0.48) | LRRK2GAAKDM4EPKMHSD17B10 | |
| SCHEMBL21847824 | 0.80 | NPSR1 (0.52) | LRRK2GAAALDH1A1HPGDKDM4E | |
| SCHEMBL29496233 | 0.80 | NPSR1 (0.52) | LRRK2GAAALDH1A1HPGDKDM4E | |
| SCHEMBL22890816 | 0.76 | ALDH1A1 (0.47) | LRRK2GAAALDH1A1HPGDKDM4E | |
| SCHEMBL22890865 | 0.74 | ALDH1A1 (0.44) | LRRK2GAAALDH1A1HPGDKDM4E | |
| SCHEMBL22890872 | 0.72 | LRRK2 (0.44) | LRRK2GAAALDH1A1HPGDKDM4E | |
| SCHEMBL22890764 | 0.72 | ALDH1A1 (0.43) | LRRK2GAAALDH1A1HPGDKDM4E | |
| SCHEMBL22890405 | 0.72 | ALDH1A1 (0.43) | LRRK2GAAALDH1A1HPGDKDM4E | |
| SCHEMBL21847851 | 0.72 | ALDH1A1 (0.56) | LRRK2GAAALDH1A1HPGDKDM4E | |
| SCHEMBL29496196 | 0.72 | ALDH1A1 (0.56) | LRRK2GAAALDH1A1HPGDKDM4E |
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-2021007477-A1 | INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS | E-SCAPE BIO, INC. (US) | 2021-01-14 | — | — | WO | disclosed |