Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL19951712 | 0.76 | SLC6A2 (0.32) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL16795106 | 0.74 | SLC6A2 (0.45) | SLC6A2ALDH1A1HPGDHSD17B10CYP3A4 | |
| SCHEMBL26153822 | 0.74 | SLC6A2 (0.45) | SLC6A2ALDH1A1HPGDHSD17B10CYP3A4 | |
| SCHEMBL26153825 | 0.74 | SLC6A2 (0.45) | SLC6A2ALDH1A1HPGDHSD17B10CYP3A4 | |
| SCHEMBL18153250 | 0.72 | SLC6A2 (0.38) | SLC6A2ALDH1A1HPGDHSD17B10CYP3A4 | |
| SCHEMBL976310 | 0.71 | SLC6A2 (0.37) | SLC6A2ALDH1A1HPGDHSD17B10CYP3A4 | |
| SCHEMBL23755947 | 0.70 | — | — | |
| SCHEMBL13277686 | 0.67 | GSK3B (0.34) | SLC6A2ALDH1A1HPGDHSD17B10CYP3A4 | |
| SCHEMBL15536462 | 0.67 | SLC6A2 (0.36) | SLC6A2SLC6A4SLC6A3CYP1A2MEN1 | |
| SCHEMBL29257520 | 0.63 | SLC6A2 (0.49) | SLC6A2ALDH1A1HPGDHSD17B10CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3190889-A1 | COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY | Merck Sharp & Dohme Corp. (US) | 2017-07-19 | — | — | EP | disclosed |
| WO-2016036586-A1 | COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY | MERCK SHARP & DOHME CORP. (US) | 2016-03-10 | — | — | WO | disclosed |