Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 3/20 | 0.33 |
| ▸ | PPARA | Q07869 | 3/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8651248 | 0.84 | L3MBTL1 (0.38) | ALDH1A1MAPK1L3MBTL1PDCD1CD274 | |
| SCHEMBL28343098 | 0.81 | ALDH1A1 (0.41) | ALDH1A1MAPK1L3MBTL1PDCD1CD274 | |
| SCHEMBL28055970 | 0.76 | ESR1 (0.35) | ALDH1A1MAPK1L3MBTL1SMN1; SMN2GABRA1 | |
| SCHEMBL3418093 | 0.75 | ALDH1A1 (0.45) | ALDH1A1MAPK1PDCD1CD274PTPRC | |
| SCHEMBL28343103 | 0.75 | ALDH1A1 (0.36) | ALDH1A1MAPK1L3MBTL1SMN1; SMN2RAB9A | |
| SCHEMBL29896649 | 0.73 | IDO1 (0.39) | ALDH1A1L3MBTL1PTGS2 | |
| SCHEMBL933759 | 0.73 | IDO1 (0.39) | ALDH1A1L3MBTL1PTGS2 | |
| SCHEMBL429933 | 0.70 | ALDH1A1 (0.62) | ALDH1A1MAPK1PDCD1CD274PTPRC | |
| SCHEMBL28081865 | 0.69 | PTPN1 (0.43) | ALDH1A1MAPK1SMN1; SMN2PPARGPPARA | |
| SCHEMBL27907921 | 0.68 | GABRA1 (0.61) | ALDH1A1MAPK1PDCD1CD274ADORA2A |
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-110627831-A | Bibiaryl acetal phosphines, their preparation and use in coupling reactions | 东莞市均成高新材料有限公司 | 2019-12-31 | — | — | CN | disclosed |