Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 5/20 | 0.39 |
| ▸ | ESR1 | P03372 | 4/20 | 0.39 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.36 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.36 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.36 |
| ▸ | LPL | P06858 | 2/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.34 |
| ▸ | SNCA | P37840 | 1/20 | 0.33 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL18015678 | 0.85 | ESR2 (0.48) | ESR2ESR1GRIA1CACNG8CACNG2 | |
| SCHEMBL18597398 | 0.82 | ESR2 (0.57) | ESR2ESR1GRIA1CACNG8CACNG2 | |
| SCHEMBL17536059 | 0.80 | ESR1 (0.51) | ESR2ESR1GRIA1CACNG8CACNG2 | |
| SCHEMBL15336505 | 0.79 | ESR1 (0.50) | ESR2ESR1GRIA1CACNG8CACNG2 | |
| SCHEMBL29603396 | 0.79 | ESR2 (0.58) | ESR2ESR1GRIA1CACNG8CACNG2 | |
| SCHEMBL12424886 | 0.79 | ESR2 (0.58) | ESR2ESR1GRIA1CACNG8CACNG2 | |
| SCHEMBL15770520 | 0.78 | ESR1 (0.47) | ESR2ESR1GRIA1CACNG8CACNG2 | |
| SCHEMBL14854199 | 0.78 | CA1 (0.43) | ESR2LPLLIPGSNCACA1 | |
| SCHEMBL25875540 | 0.77 | ESR2 (0.51) | ESR2ESR1GRIA1CACNG8CACNG2 | |
| SCHEMBL19193834 | 0.77 | LIPG (0.57) | ESR2ESR1GRIA1CACNG8CACNG2 |
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-3254317-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2019-07-31 | — | — | EP | disclosed |