Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.48 |
| ▸ | FADS1 | O60427 | 5/20 | 0.39 |
| ▸ | BRAF | P15056 | 5/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.34 |
| ▸ | RAF1 | P04049 | 1/20 | 0.34 |
| ▸ | ARAF | P10398 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22453892 | 0.76 | LRRK2 (0.55) | LRRK2FADS1HDAC1HDAC8HDAC6 | |
| SCHEMBL22452996 | 0.75 | LRRK2 (0.50) | LRRK2BRAFHDAC1HDAC3HDAC4 | |
| SCHEMBL22452978 | 0.72 | LRRK2 (0.51) | LRRK2FADS1CYP1A2NPC1RAB9A | |
| SCHEMBL22453384 | 0.72 | LRRK2 (0.50) | LRRK2FADS1BRAFHDAC1HDAC3 | |
| SCHEMBL22453103 | 0.71 | LRRK2 (0.43) | LRRK2FADS1CYP1A2 | |
| SCHEMBL22453342 | 0.70 | LRRK2 (0.46) | LRRK2FADS1BRAFHDAC1HDAC3 | |
| SCHEMBL22453728 | 0.70 | LRRK2 (0.44) | LRRK2BRAFHDAC1HDAC3HDAC4 | |
| SCHEMBL22452944 | 0.70 | LRRK2 (0.44) | LRRK2FADS1BRAFHDAC1HDAC3 | |
| SCHEMBL22889931 | 0.70 | LRRK2 (0.59) | LRRK2BRAFNPC1RAB9ATMPRSS4 | |
| SCHEMBL22453902 | 0.69 | LRRK2 (0.58) | LRRK2FADS1HDAC1 |
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 |