Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.36 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.31 |
| ▸ | GRM3 | Q14832 | 2/20 | 0.31 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | GRM8 | O00222 | 1/20 | 0.31 |
| ▸ | GRM6 | O15303 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | GRM1 | Q13255 | 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 | |
|---|---|---|---|---|
| SCHEMBL3463634 | 0.82 | HRH3 (0.38) | ALDH1A1HRH3TSHRGRM2GRM3 | |
| SCHEMBL3464980 | 0.82 | HRH3 (0.38) | ALDH1A1HRH3TSHRGRM2GRM3 | |
| SCHEMBL3464994 | 0.82 | HRH3 (0.38) | ALDH1A1HRH3TSHRGRM2GRM3 | |
| SCHEMBL30424595 | 0.81 | ALDH1A1 (0.33) | ALDH1A1NPSR1L3MBTL1HRH3 | |
| SCHEMBL11637297 | 0.79 | SLC1A2 (0.39) | ALDH1A1SLC1A2SLC1A1TSHRGRM2 | |
| Hydrochloric Acid SCHEMBL11639733 | 0.77 | SLC1A2 (0.38) | SLC1A2SLC1A1TSHRGRM2GRM3 | |
| Hydrochloric Acid SCHEMBL7972549 | 0.76 | SLC1A2 (0.37) | SLC1A2SLC1A1TSHRGRM2GRM3 | |
| SCHEMBL23536148 | 0.74 | TSHR (0.43) | SLC1A2SLC1A1HRH3TSHRGRM2 | |
| SCHEMBL8514155 | 0.74 | TSHR (0.43) | SLC1A2SLC1A1HRH3TSHRGRM2 | |
| SCHEMBL18983664 | 0.74 | GRM4 (0.31) | ALDH1A1TSHRGRM2GRM3GRM4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116390727-A | N-linked isoquinolinamides as LRRK2 inhibitors, pharmaceutical compositions and uses thereof | 默沙东有限责任公司 | 2023-07-04 | — | — | CN | disclosed |