Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5AP | P20292 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.42 |
| ▸ | GPR3 | P46089 | 1/20 | 0.41 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.41 |
| ▸ | SCN10A | Q9Y5Y9 | 4/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.40 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 2/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24401763 | 0.98 | AURKA (0.41) | ALOX5APFEN1GPR3NISCHSCN10A | |
| SCHEMBL19415114 | 0.82 | FFAR4 (0.44) | GPR3NISCHSCN10ASCN5AKCNH2 | |
| SCHEMBL16585053 | 0.78 | FFAR4 (0.42) | NISCHKCNH2KIF11AURKATPX2 | |
| SCHEMBL1242144 | 0.77 | KIF11 (0.52) | NISCHSCN10ASCN5AKCNH2SCN9A | |
| SCHEMBL28716842 | 0.76 | MAOB (0.41) | ALOX5APFEN1NISCHSCN10ASCN5A | |
| SCHEMBL13385813 | 0.76 | ALDH1A1 (0.48) | KIF11MAPTGAAKDM4ERECQL | |
| SCHEMBL29103677 | 0.76 | ALOX5AP (0.46) | ALOX5APFEN1GPR3NISCHKIF11 | |
| SCHEMBL3902193 | 0.76 | KIF11 (0.57) | KIF11MAPK1MAOB | |
| SCHEMBL10017574 | 0.75 | MEN1 (0.44) | SCN5AKCNH2SCN9AKIF11AURKA | |
| SCHEMBL23041015 | 0.75 | KIF11 (0.41) | NISCHSCN10ASCN5AKCNH2SCN9A |
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-116507695-A | Aromatic isothiocyanates | 默克专利股份有限公司 | 2023-07-28 | — | — | CN | disclosed |