Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.40 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.40 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | PDE9A | O76083 | 1/20 | 0.35 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25038386 | 0.91 | ADORA1 (0.42) | NPSR1ADORA1ADORA2AKDM4EHPGD | |
| SCHEMBL12200442 | 0.83 | CYP1A1 (0.45) | NPSR1KDM4EHPGDALDH1A1CYP1A1 | |
| SCHEMBL25036045 | 0.81 | AR (0.38) | NPSR1ADORA1ADORA2AKDM4EHPGD | |
| SCHEMBL25825340 | 0.80 | TSHR (0.41) | ADORA1ADORA2AKDM4EHPGDADORA2B | |
| SCHEMBL26553166 | 0.80 | ADORA1 (0.46) | NPSR1ADORA1ADORA2AKDM4EHPGD | |
| SCHEMBL25823945 | 0.80 | TSHR (0.41) | ADORA1ADORA2AKDM4EHPGDADORA2B | |
| SCHEMBL25823341 | 0.80 | TSHR (0.41) | ADORA1ADORA2AKDM4EHPGDADORA2B | |
| SCHEMBL25038595 | 0.80 | CYP1A2 (0.39) | NPSR1ADORA1ADORA2AKDM4EHPGD | |
| SCHEMBL25823621 | 0.79 | TSHR (0.40) | ADORA1ADORA2AKDM4EHPGDADORA2B | |
| SCHEMBL25823261 | 0.79 | TSHR (0.40) | ADORA1ADORA2AKDM4EHPGDADORA2B |
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-2023018267-A1 | NOVEL COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2023-02-16 | — | — | WO | disclosed |