Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 3/20 | 0.60 |
| ▸ | ESR1 | P03372 | 2/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.49 |
| ▸ | RECQL | P46063 | 2/20 | 0.49 |
| ▸ | PRKACA | P17612 | 1/20 | 0.48 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.48 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.48 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.48 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.48 |
| ▸ | GSR | P00390 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.42 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.42 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22507313 | 1.00 | ESR2 (0.60) | ESR2ESR1MAPK1HTTHDAC1 | |
| SCHEMBL22513603 | 0.93 | ESR1 (0.59) | ESR2ESR1MAPK1HTTHDAC1 | |
| SCHEMBL20776075 | 0.93 | ESR1 (0.58) | ESR2ESR1MAPK1HTTHDAC1 | |
| SCHEMBL18308619 | 0.93 | ESR1 (0.58) | ESR2ESR1MAPK1HTTHDAC1 | |
| SCHEMBL22507349 | 0.92 | SIRT2 (0.52) | ESR2ESR1MAPK1HTTHDAC1 | |
| SCHEMBL22513606 | 0.92 | ESR2 (0.55) | ESR2ESR1MAPK1HTTHDAC1 | |
| SCHEMBL22507362 | 0.92 | ESR2 (0.55) | ESR2ESR1MAPK1HTTHDAC1 | |
| SCHEMBL20776059 | 0.91 | ESR1 (0.57) | ESR2ESR1MAPK1HTTHDAC1 | |
| SCHEMBL16305274 | 0.91 | ESR1 (0.57) | ESR2ESR1MAPK1HTTHDAC1 | |
| SCHEMBL14225196 | 0.91 | ESR1 (0.57) | ESR2ESR1MAPK1HTTHDAC1 |
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-2020199997-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 |