Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 5/20 | 0.51 |
| ▸ | ESR1 | P03372 | 4/20 | 0.51 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.45 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.45 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18597398 | 0.94 | ESR2 (0.57) | ESR2ESR1GRIA1CACNG8CACNG2 | |
| SCHEMBL17536059 | 0.92 | ESR1 (0.51) | ESR2ESR1GRIA1CACNG8CACNG2 | |
| SCHEMBL15336505 | 0.91 | ESR1 (0.50) | ESR2ESR1GRIA1CACNG8CACNG2 | |
| SCHEMBL12694195 | 0.82 | ESR1 (0.49) | ESR2ESR1GRIA1CACNG8CACNG2 | |
| SCHEMBL24285646 | 0.79 | ESR1 (0.39) | ESR2ESR1GRIA1CACNG8CACNG2 | |
| SCHEMBL24190999 | 0.78 | CYP1A2 (0.41) | ESR2ESR1RECQLKDM4EMAPK1 | |
| SCHEMBL21202802 | 0.77 | ESR2 (0.39) | ESR2ESR1GRIA1CACNG8CACNG2 | |
| SCHEMBL28590299 | 0.75 | ESR1 (0.50) | ESR2ESR1GRIA1CACNG8CACNG2 | |
| SCHEMBL10056755 | 0.74 | ESR1 (0.49) | ESR2ESR1GRIA1CACNG8CACNG2 | |
| SCHEMBL21968774 | 0.74 | KDM4E (0.37) | ESR2ESR1KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023140649-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2023-07-27 | — | — | WO | disclosed |