Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.46 |
| ▸ | USP2 | O75604 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.44 |
| ▸ | TSHR | P16473 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19726827 | 0.89 | TSHR (0.46) | CYP3A4CYP2D6ALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL22273306 | 0.89 | CYP2D6 (0.46) | CYP3A4CYP2D6ALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL20417918 | 0.84 | CYP2D6 (0.56) | CYP3A4CYP2D6ALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL23763343 | 0.84 | CYP3A4 (0.54) | CYP3A4CYP2D6ALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL24010010 | 0.83 | CYP3A4 (0.42) | CYP3A4CYP2D6ALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL19534269 | 0.83 | CYP3A4 (0.44) | CYP3A4CYP2D6ALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL17624102 | 0.83 | CYP2D6 (0.54) | CYP3A4CYP2D6ALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL8323936 | 0.81 | CYP3A4 (0.53) | CYP3A4CYP2D6ALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL19504444 | 0.81 | CYP2D6 (0.45) | CYP3A4CYP2D6ALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL19504422 | 0.79 | ALDH1A1 (0.37) | CYP3A4CYP2D6ALDH1A1HSD17B10CYP1A2 |
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 |