Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.33 |
| ▸ | KDM5A | P29375 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.33 |
| ▸ | TGM2 | P21980 | 1/20 | 0.32 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL25373908 | 1.00 | ALDH1A1 (0.39) | ALDH1A1TSHRKDM4EPOLBATG4B | |
| SCHEMBL25375892 | 0.87 | ALDH1A1 (0.41) | ALDH1A1TSHRPOLBTDP1MEN1 | |
| SCHEMBL30402455 | 0.87 | GPR52 (0.39) | ATG4BCYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL25374145 | 0.87 | GPR52 (0.39) | ATG4BCYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL25373797 | 0.84 | ALDH1A1 (0.41) | ALDH1A1TSHRTDP1MEN1CYP1A2 | |
| SCHEMBL25377549 | 0.82 | PDE3B (0.48) | ALDH1A1POLBGAAHTTKMT2A | |
| SCHEMBL30401021 | 0.80 | AR (0.43) | ALDH1A1TSHRKDM4ETDP1MEN1 | |
| SCHEMBL25373892 | 0.80 | AR (0.43) | ALDH1A1TSHRKDM4ETDP1MEN1 | |
| SCHEMBL25375372 | 0.79 | MBOAT4 (0.39) | ALDH1A1KDM5AKDM4CKDM5BGAA | |
| SCHEMBL30401708 | 0.79 | MBOAT4 (0.39) | ALDH1A1KDM5AKDM4CKDM5BGAA |
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-116096718-A | Aryl amide compound, pharmaceutical composition containing same, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2023-05-09 | — | — | CN | disclosed |