Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | RXRB | P28702 | 1/20 | 0.43 |
| ▸ | RXRG | P48443 | 1/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 9/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.35 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ATR | Q13535 | 5/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.32 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29538787 | 1.00 | RXRA (0.43) | RXRARXRBRXRGLRRK2CYP4F2 | |
| SCHEMBL20424070 | 0.86 | LRRK2 (0.45) | RXRARXRBRXRGLRRK2CYP4F2 | |
| SCHEMBL20424063 | 0.84 | LRRK2 (0.49) | RXRARXRBRXRGLRRK2CYP4F2 | |
| SCHEMBL22749867 | 0.79 | LRRK2 (0.40) | RXRARXRBRXRGLRRK2DGAT2 | |
| SCHEMBL21796742 | 0.79 | RXRA (0.41) | RXRARXRBRXRGLRRK2ALDH1A1 | |
| SCHEMBL22750191 | 0.78 | LRRK2 (0.54) | RXRARXRBRXRGLRRK2ABCG2 | |
| SCHEMBL30535663 | 0.77 | RXRA (0.48) | RXRARXRBRXRGLRRK2CYP4F2 | |
| SCHEMBL20437685 | 0.77 | RXRA (0.51) | RXRARXRBRXRGCYP4F2CYP4A11 | |
| SCHEMBL22749844 | 0.77 | RXRA (0.43) | RXRARXRBRXRGLRRK2ALDH1A1 | |
| SCHEMBL29796145 | 0.76 | GPR119 (0.42) | RXRARXRBRXRGLMNA |
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-2020247298-A2 | 1-PYRAZOLYL, 5-, 6- DISUBSTITUTED INDAZOLE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | MERCK SHARP & DOHME CORP. (US) | 2020-12-10 | — | — | WO | disclosed |