Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.42 |
| ▸ | PRKCI | P41743 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 15/20 | 0.41 |
| ▸ | BRAF | P15056 | 9/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 7/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 6/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 6/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 6/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 6/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 6/20 | 0.41 |
| ▸ | RAF1 | P04049 | 2/20 | 0.40 |
| ▸ | ARAF | P10398 | 2/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22453825 | 0.87 | HDAC3 (0.45) | HDAC1BRAFHDAC3HDAC2HDAC4 | |
| SCHEMBL22453586 | 0.84 | RAB9A (0.38) | LRRK2PRKCIHDAC1BRAFHDAC3 | |
| SCHEMBL22452996 | 0.81 | LRRK2 (0.50) | LRRK2HDAC1BRAFHDAC3HDAC2 | |
| SCHEMBL18808347 | 0.80 | NPC1 (0.61) | KDM4EMEN1NPC1MAPTPKM | |
| SCHEMBL18808331 | 0.78 | NPC1 (0.51) | KDM4EMEN1NPC1MAPTRAB9A | |
| SCHEMBL22453384 | 0.77 | LRRK2 (0.50) | LRRK2PRKCIHDAC1BRAFHDAC3 | |
| SCHEMBL18808492 | 0.76 | KCNQ3 (0.43) | MEN1NPC1MAPTRAB9AKMT2A | |
| SCHEMBL22453907 | 0.75 | ABCB1 (0.40) | MEN1NPC1MAPTRAB9AKMT2A | |
| SCHEMBL18808350 | 0.75 | NPC1 (0.54) | KDM4EMEN1NPC1MAPTPKM | |
| SCHEMBL22454034 | 0.74 | LRRK2 (0.40) | LRRK2HDAC1BRAFHDAC3HDAC2 |
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 |