Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 3/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.34 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.34 |
| ▸ | FEN1 | P39748 | 3/20 | 0.34 |
| ▸ | SDHB | P21912 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.33 |
| ▸ | HPGDS | O60760 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | LDHA | P00338 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23956347 | 1.00 | DYRK1A (0.36) | DYRK1AHSD17B1HSD17B2CYP11B1CYP11B2 | |
| SCHEMBL23956362 | 0.94 | DYRK1A (0.40) | DYRK1AHSD17B1HSD17B2CYP11B1CYP11B2 | |
| SCHEMBL23956219 | 0.91 | LDHA (0.40) | DYRK1AALOX5APFEN1SDHBDGAT1 | |
| SCHEMBL24291876 | 0.87 | ADORA2A (0.39) | DYRK1AALOX5APFEN1CHRM5ADORA2A | |
| SCHEMBL24291878 | 0.87 | ADORA2A (0.39) | DYRK1AALOX5APFEN1CHRM5ADORA2A | |
| SCHEMBL25100561 | 0.86 | CHRM5 (0.39) | DYRK1ACYP11B1CYP11B2SDHBCHRM5 | |
| SCHEMBL22175451 | 0.86 | PDK2 (0.37) | CHRM5ADORA2AADORA1 | |
| SCHEMBL23956295 | 0.85 | HSD17B1 (0.37) | HSD17B1HSD17B2ALOX5APFEN1CHRM5 | |
| SCHEMBL23956284 | 0.85 | ALOX5AP (0.36) | CYP11B1CYP11B2ALOX5APFEN1CHRM5 | |
| SCHEMBL22175327 | 0.84 | LDHA (0.41) | DYRK1AALOX5APFEN1ADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3601304-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2021-10-27 | — | — | EP | disclosed |