Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.46 |
| ▸ | FADS1 | O60427 | 4/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.34 |
| ▸ | BRAF | P15056 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | RAF1 | P04049 | 1/20 | 0.32 |
| ▸ | ARAF | P10398 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL22453914 | 0.86 | FADS1 (0.38) | LRRK2FADS1BRAFHDAC1MEN1 | |
| SCHEMBL22453804 | 0.82 | LRRK2 (0.45) | LRRK2FADS1NR1H4BRAFHDAC1 | |
| SCHEMBL22453912 | 0.79 | HDAC3 (0.37) | LRRK2FADS1NR1H4BRAFHDAC1 | |
| SCHEMBL22453391 | 0.77 | LRRK2 (0.44) | LRRK2NR1H4BRAFHDAC1MAOB | |
| SCHEMBL22453889 | 0.74 | LRRK2 (0.42) | LRRK2NR1H4BRAFHDAC1MEN1 | |
| SCHEMBL22453793 | 0.73 | LRRK2 (0.46) | LRRK2FADS1NR1H4BRAFHDAC1 | |
| SCHEMBL22452978 | 0.68 | LRRK2 (0.51) | LRRK2FADS1NPC1RAB9AMAPT | |
| SCHEMBL22452996 | 0.68 | LRRK2 (0.50) | LRRK2BRAFHDAC1MEN1KMT2A | |
| SCHEMBL22453892 | 0.67 | LRRK2 (0.55) | LRRK2FADS1HDAC1NPC1RAB9A | |
| SCHEMBL22453910 | 0.66 | DPP4 (0.32) | — |
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-2020191261-A1 | INDAZOLES AS LRRK2 INHIBITORS | E-SCAPE BIO, INC. (US) | 2020-09-24 | — | — | WO | disclosed |