Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | CSNK2A1 | P68400 | 3/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL735086 | 0.83 | ALDH1A1 (0.62) | ALDH1A1MAPK1CYP2A6BACE1CRHBP | |
| SCHEMBL29405259 | 0.83 | ALDH1A1 (0.62) | ALDH1A1MAPK1CYP2A6BACE1CRHBP | |
| SCHEMBL24731021 | 0.82 | MAPK1 (0.50) | ALDH1A1MAPK1CYP2A6CSNK2A1BACE1 | |
| SCHEMBL22433028 | 0.79 | ALDH1A1 (0.44) | ALDH1A1MAPK1CYP2A6CSNK2A1AHR | |
| SCHEMBL734059 | 0.78 | ALDH1A1 (0.56) | ALDH1A1MAPK1CYP2A6BACE1CRHBP | |
| SCHEMBL2470342 | 0.78 | ALDH1A1 (0.62) | ALDH1A1MAPK1CYP2A6CSNK2A1BACE1 | |
| SCHEMBL30582700 | 0.77 | ALDH1A1 (0.50) | ALDH1A1MAPK1CYP2A6CSNK2A1BACE1 | |
| SCHEMBL18828880 | 0.76 | ALDH1A1 (0.54) | ALDH1A1MAPK1CYP2A6BACE1CRHBP | |
| SCHEMBL29284828 | 0.75 | ALDH1A1 (0.44) | ALDH1A1MAPK1CYP2A6CSNK2A1CYP1A2 | |
| SCHEMBL12403015 | 0.74 | ALDH1A1 (0.52) | ALDH1A1MAPK1BACE1CRHBPCRHR2 |
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-2022203245-A1 | ORGANIC LIGHT-EMITTING DEVICE | 주식회사 엘지화학 | 2022-09-29 | — | — | WO | disclosed |