Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 5/20 | 0.49 |
| ▸ | ESR1 | P03372 | 4/20 | 0.49 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.48 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.48 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.48 |
| ▸ | CASR | P41180 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22507216 | 0.96 | ESR1 (0.48) | ESR2ESR1GRIA1CACNG8CACNG2 | |
| SCHEMBL22507209 | 0.96 | ESR2 (0.54) | ESR2ESR1GRIA1CACNG8CACNG2 | |
| SCHEMBL22513630 | 0.96 | ESR2 (0.54) | ESR2ESR1GRIA1CACNG8CACNG2 | |
| SCHEMBL22522608 | 0.93 | ESR2 (0.56) | ESR2ESR1GRIA1CACNG8CACNG2 | |
| SCHEMBL22522648 | 0.93 | ESR2 (0.56) | ESR2ESR1GRIA1CACNG8CACNG2 | |
| SCHEMBL22507219 | 0.93 | MAPK10 (0.45) | ESR2ESR1GRIA1CACNG8CACNG2 | |
| SCHEMBL22513659 | 0.93 | ESR1 (0.54) | ESR2ESR1GRIA1CACNG8CACNG2 | |
| SCHEMBL22507199 | 0.91 | ESR1 (0.60) | ESR2ESR1GRIA1CACNG8CACNG2 | |
| SCHEMBL20776002 | 0.91 | ESR1 (0.60) | ESR2ESR1GRIA1CACNG8CACNG2 | |
| SCHEMBL22522659 | 0.91 | ESR2 (0.50) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2020199996-A1 | SUBSTITUTED 1,3,5-TRIAZINE COMPOUND, COMPOSITION AND APPLICATION THEREOF | 吉林省元合电子材料有限公司 | 2020-10-08 | — | — | WO | disclosed |