Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.43 |
| ▸ | HPGD | P15428 | 5/20 | 0.43 |
| ▸ | GAA | P10253 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | CASP1 | P29466 | 2/20 | 0.34 |
| ▸ | CASP7 | P55210 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL22889980 | 0.83 | KDM4E (0.37) | ALDH1A1HPGDGAAKDM4EHSD17B10 | |
| SCHEMBL21847824 | 0.81 | NPSR1 (0.52) | ALDH1A1HPGDGAAKDM4ENPSR1 | |
| SCHEMBL29496233 | 0.81 | NPSR1 (0.52) | ALDH1A1HPGDGAAKDM4ENPSR1 | |
| SCHEMBL22890816 | 0.77 | ALDH1A1 (0.47) | ALDH1A1HPGDGAAKDM4ENPSR1 | |
| SCHEMBL22890405 | 0.77 | ALDH1A1 (0.43) | ALDH1A1HPGDGAAKDM4ENPSR1 | |
| SCHEMBL22890865 | 0.75 | ALDH1A1 (0.44) | ALDH1A1HPGDGAAKDM4ENPSR1 | |
| SCHEMBL22890766 | 0.73 | — | — | |
| SCHEMBL22890872 | 0.73 | LRRK2 (0.44) | ALDH1A1HPGDGAAKDM4ENPSR1 | |
| SCHEMBL21847851 | 0.73 | ALDH1A1 (0.56) | ALDH1A1HPGDGAAKDM4ENPSR1 | |
| SCHEMBL29496196 | 0.73 | ALDH1A1 (0.56) | ALDH1A1HPGDGAAKDM4ENPSR1 |
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 |