Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | GSR | P00390 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.44 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.44 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.44 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.44 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL22507344 | 0.92 | ESR2 (0.52) | ALDH1A1MEN1KMT2AMAPTESR1 | |
| SCHEMBL22507362 | 0.91 | ESR2 (0.55) | ALDH1A1GSRMEN1KMT2AHSP90AA1 | |
| SCHEMBL22513606 | 0.91 | ESR2 (0.55) | ALDH1A1GSRMEN1KMT2AHSP90AA1 | |
| SCHEMBL22507349 | 0.91 | SIRT2 (0.52) | ALDH1A1GSRESR1ESR2L3MBTL1 | |
| SCHEMBL22507219 | 0.89 | MAPK10 (0.45) | ALDH1A1GSRMEN1KMT2AHSP90AA1 | |
| SCHEMBL22507319 | 0.89 | GRIA1 (0.58) | ALDH1A1GSRMEN1KMT2AHSP90AA1 | |
| SCHEMBL22507342 | 0.89 | ALDH1A1 (0.51) | ALDH1A1GSRMEN1KMT2AHSP90AA1 | |
| SCHEMBL22513688 | 0.89 | GRIA1 (0.58) | ALDH1A1GSRMEN1KMT2AHSP90AA1 | |
| SCHEMBL22507347 | 0.88 | ESR1 (0.58) | ALDH1A1MEN1KMT2AMAPTESR1 | |
| SCHEMBL22522510 | 0.88 | ESR2 (0.56) | ALDH1A1GSRMEN1KMT2AHSP90AA1 |
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 |