Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.52 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.51 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.51 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.51 |
| ▸ | MAPK10 | P53779 | 11/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | MAPK9 | P45984 | 4/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20091329 | 0.88 | ESR1 (0.66) | ESR1ESR2GRIA1CACNG8CACNG2 | |
| SCHEMBL12912570 | 0.88 | ESR2 (0.65) | ESR1ESR2GRIA1CACNG8CACNG2 | |
| SCHEMBL20086825 | 0.87 | ESR1 (0.54) | ESR1ESR2GRIA1CACNG8CACNG2 | |
| SCHEMBL14378356 | 0.87 | ESR2 (0.55) | ESR1ESR2GRIA1CACNG8CACNG2 | |
| SCHEMBL13999931 | 0.84 | ESR2 (0.68) | ESR1ESR2GRIA1CACNG8CACNG2 | |
| SCHEMBL20208115 | 0.84 | ESR2 (0.68) | ESR1ESR2GRIA1CACNG8CACNG2 | |
| SCHEMBL12912521 | 0.84 | ESR2 (0.60) | ESR1ESR2GRIA1CACNG8CACNG2 | |
| SCHEMBL31061768 | 0.84 | ESR1 (0.63) | ESR1ESR2GRIA1CACNG8CACNG2 | |
| SCHEMBL339108 | 0.84 | ESR2 (0.72) | ESR1ESR2GRIA1CACNG8CACNG2 | |
| SCHEMBL15875805 | 0.84 | ESR2 (0.59) | ESR1ESR2GRIA1CACNG8CACNG2 |
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-109206422-B | Bipolar compound based on 1,3, 4-thiadiazole and preparation method and application thereof | 湖北尚赛光电材料有限公司 | 2022-03-18 | — | — | CN | disclosed |