Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.36 |
| ▸ | FADS1 | O60427 | 2/20 | 0.35 |
| ▸ | BRAF | P15056 | 5/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.33 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22453761 | 0.91 | FADS1 (0.35) | LRRK2HDAC1FADS1BRAFCA1 | |
| SCHEMBL22454051 | 0.90 | HDAC1 (0.36) | LRRK2HDAC1FADS1BRAFCA1 | |
| SCHEMBL22453968 | 0.89 | HDAC1 (0.34) | LRRK2HDAC1FADS1BRAFCA1 | |
| SCHEMBL22453786 | 0.88 | LRRK2 (0.36) | LRRK2HDAC1FADS1BRAFCA1 | |
| SCHEMBL22454042 | 0.88 | BRAF (0.35) | HDAC1FADS1BRAFCA1CA2 | |
| SCHEMBL22453797 | 0.88 | FADS1 (0.39) | HDAC1FADS1ALDH1A1SMN1; SMN2KLK1 | |
| SCHEMBL22453911 | 0.88 | HDAC1 (0.40) | HDAC1FADS1BRAFALDH1A1MAPK1 | |
| SCHEMBL22453587 | 0.87 | CYP3A4 (0.33) | HDAC1FADS1BRAFCA1CA2 | |
| SCHEMBL22454069 | 0.87 | HDAC1 (0.33) | LRRK2HDAC1FADS1BRAFCA1 | |
| SCHEMBL22453923 | 0.87 | HDAC1 (0.32) | LRRK2HDAC1FADS1BRAFCA1 |
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 |