Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH2 | P05091 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.43 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.43 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 4/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.38 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20408750 | 1.00 | ALDH2 (0.52) | ALDH2TSHRTLR8TLR7MAP1LC3B | |
| SCHEMBL861968 | 0.82 | ALDH2 (0.46) | ALDH2TSHRTLR8TLR7ALDH1A1 | |
| SCHEMBL28169080 | 0.82 | ALDH2 (0.46) | ALDH2TSHRTLR8TLR7MAP1LC3B | |
| SCHEMBL20001268 | 0.82 | HTR3A (0.53) | ALDH2TSHRTLR8TLR7MAP1LC3B | |
| SCHEMBL12562573 | 0.82 | ALDH2 (0.46) | ALDH2TSHRTLR8TLR7MAP1LC3B | |
| SCHEMBL18590504 | 0.81 | TSHR (0.61) | TSHRALDH1A1MAPTPKMPDE4A | |
| SCHEMBL14544184 | 0.81 | TSHR (0.61) | TSHRALDH1A1MAPTPKMPDE4A | |
| SCHEMBL18590491 | 0.81 | TSHR (0.61) | TSHRALDH1A1MAPTPKMPDE4A | |
| SCHEMBL1568261 | 0.81 | SLC18A3 (0.53) | ALDH2MAPTGAAMAP2K1 | |
| SCHEMBL20001252 | 0.81 | MAP2K1 (0.58) | ALDH2TSHRALDH1A1SMN1; SMN2MAPT |
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-2023109883-A1 | AROMATIC HETEROCYCLE-SUBSTITUTED COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翊石医药科技有限公司 | 2023-06-22 | — | — | WO | disclosed |