Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.51 |
| ▸ | NQO2 | P16083 | 2/20 | 0.48 |
| ▸ | PIM1 | P11309 | 2/20 | 0.45 |
| ▸ | ANPEP | P15144 | 1/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30041755 | 1.00 | CES1 (0.51) | CES1NQO2PIM1ANPEPGPR84 | |
| SCHEMBL3043009 | 0.90 | CES1 (0.54) | CES1NQO2PIM1ANPEPGPR84 | |
| SCHEMBL29775928 | 0.90 | CES1 (0.54) | CES1NQO2PIM1ANPEPGPR84 | |
| SCHEMBL29034309 | 0.88 | CES1 (0.51) | CES1NQO2ANPEPGPR84ALOX5 | |
| SCHEMBL28560513 | 0.85 | CES1 (0.56) | CES1NQO2ANPEPGPR84ALOX5 | |
| SCHEMBL27874728 | 0.84 | CES1 (0.51) | CES1NQO2PIM1ANPEPGPR84 | |
| SCHEMBL5429989 | 0.84 | CES1 (0.54) | CES1NQO2PIM1ANPEPGPR84 | |
| SCHEMBL27789679 | 0.84 | ALOX5 (0.49) | CES1PIM1GPR84ALOX5ALDH1A1 | |
| SCHEMBL27952867 | 0.83 | CES1 (0.61) | CES1NQO2ANPEPGPR84ALOX5 | |
| SCHEMBL4845570 | 0.80 | CES1 (0.61) | CES1NQO2ANPEPGPR84ALOX5 |
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-109651174-A | Organic electroluminescent compounds, luminescent material and organic electroluminescence device | 苏州久显新材料有限公司 | 2019-04-19 | — | — | CN | disclosed |