Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | ATM | Q13315 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29771512 | 0.85 | HSD17B10 (0.41) | PTPN1HPGDMAPTALDH1A1KDM4E | |
| SCHEMBL22890254 | 0.85 | HSD17B10 (0.41) | PTPN1HPGDMAPTALDH1A1KDM4E | |
| SCHEMBL7665937 | 0.83 | AGXT (0.44) | NPSR1HPGDMAPK1ATMMAPT | |
| SCHEMBL22890486 | 0.79 | NPSR1 (0.38) | NPSR1HPGDMAPK1ATMMAPT | |
| SCHEMBL22890261 | 0.78 | NPSR1 (0.37) | NPSR1HPGDMAPK1ATMMAPT | |
| SCHEMBL9939724 | 0.77 | NPSR1 (0.39) | NPSR1PTPN1MAPK1ATMMAPT | |
| SCHEMBL7588137 | 0.75 | NPSR1 (0.45) | NPSR1MAPK1ATMMAPTL3MBTL1 | |
| SCHEMBL26260299 | 0.75 | HSD17B10 (0.41) | PTPN1HPGDMAPTALDH1A1KDM4E | |
| SCHEMBL31500546 | 0.72 | NPSR1 (0.47) | NPSR1HPGDMAPK1ATMMAPT | |
| SCHEMBL31184927 | 0.72 | L3MBTL1 (0.46) | NPSR1MAPK1L3MBTL1ALDH1A1KDM4E |
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 |