Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | S100A4 | P26447 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.32 |
| ▸ | MAP2 | P11137 | 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 | |
|---|---|---|---|---|
| SCHEMBL3106465 | 0.85 | GRM2 (0.43) | GRM2NOTUMENPP2CRHR1HSD11B1 | |
| SCHEMBL29719717 | 0.74 | NOTUM (0.53) | GRM2NOTUMHSD11B1S100A4 | |
| SCHEMBL30145623 | 0.74 | ENPP2 (0.50) | GRM2NOTUMENPP2HSD11B1S100A4 | |
| SCHEMBL4221663 | 0.74 | KMT2A (0.45) | GRM2NOTUMESR2TSHRCNR1 | |
| SCHEMBL30984364 | 0.73 | NPC1 (0.49) | GRM2NOTUMCRHR1TSHRCNR1 | |
| SCHEMBL13176936 | 0.73 | NPC1 (0.49) | GRM2NOTUMCRHR1TSHRCNR1 | |
| SCHEMBL4225660 | 0.72 | GABRA1 (0.64) | ALOX5PTGS1PTGS2ALDH1A1SUCNR1 | |
| SCHEMBL3106470 | 0.71 | MAP2 (0.43) | ENPP2TSHRCNR1S100A4ALDH1A1 | |
| SCHEMBL29825793 | 0.70 | CYP3A4 (0.43) | ENPP2TSHRALDH1A1 | |
| SCHEMBL624402 | 0.70 | CYP3A4 (0.43) | ENPP2TSHRALDH1A1 |
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-2020040571-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2020-02-27 | — | — | WO | disclosed |