Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.70 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | PRNP | P04156 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 1/20 | 0.48 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.48 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.48 |
| ▸ | ELANE | P08246 | 1/20 | 0.47 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.45 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL22292210 | 0.88 | KDM4E (0.62) | ALDH1A1SMN1; SMN2ATMMAPTMAPK1 | |
| SCHEMBL28563581 | 0.86 | GRM2 (0.52) | ALDH1A1SMN1; SMN2GRM2ATMMAPT | |
| SCHEMBL1999627 | 0.86 | ALDH1A1 (0.78) | ALDH1A1SMN1; SMN2ATMMAPTMAPK1 | |
| SCHEMBL28588114 | 0.86 | SMN1; SMN2 (0.55) | ALDH1A1SMN1; SMN2GRM2MAPTMAPK1 | |
| SCHEMBL28883920 | 0.83 | GRM2 (0.49) | ALDH1A1SMN1; SMN2GRM2ATMMAPT | |
| SCHEMBL25217075 | 0.82 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2ATMMAPTMAPK1 | |
| SCHEMBL28426542 | 0.82 | NPC1 (0.49) | ALDH1A1SMN1; SMN2MAPTMAPK1RXFP1 | |
| SCHEMBL28883896 | 0.81 | KDM4E (0.54) | ALDH1A1SMN1; SMN2GRM2MAPTMAPK1 | |
| SCHEMBL25698476 | 0.79 | SMN1; SMN2 (0.53) | ALDH1A1SMN1; SMN2MAPTMAPK1KDM4E | |
| SCHEMBL20951832 | 0.78 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2ATMMAPTMAPK1 |
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-110156681-B | Synthesis method of 2-ester group quinoline | 安徽工程大学宣城产业技术研究院有限公司 | 2022-11-11 | — | — | CN | disclosed |