Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 1/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | TGM2 | P21980 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29276298 | 0.90 | MAPT (0.42) | DHODHSMN1; SMN2GAACA12CA1 | |
| SCHEMBL29246721 | 0.89 | CA12 (0.48) | SMN1; SMN2GAAHTTCA12CA1 | |
| SCHEMBL4974275 | 0.88 | GAA (0.45) | DHODHSMN1; SMN2GAACA12CA1 | |
| SCHEMBL9980454 | 0.88 | GAA (0.45) | DHODHSMN1; SMN2GAACA12CA1 | |
| SCHEMBL24103353 | 0.87 | CA12 (0.47) | SMN1; SMN2GAACA12CA1MAPT | |
| SCHEMBL16525557 | 0.87 | CA12 (0.47) | SMN1; SMN2GAACA12CA1MAPT | |
| SCHEMBL13980908 | 0.83 | AURKA (0.49) | DHODHAURKANTRK1SMN1; SMN2GAA | |
| SCHEMBL29035983 | 0.81 | AURKA (0.48) | DHODHAURKANTRK1SMN1; SMN2GAA | |
| SCHEMBL2331437 | 0.80 | AURKA (0.47) | DHODHAURKANTRK1SMN1; SMN2GAA | |
| SCHEMBL28512820 | 0.80 | AURKA (0.47) | DHODHAURKANTRK1SMN1; SMN2GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114874105-B | Preparation method of visible light and water promoted homoallylic amine compound | 大连理工大学 | 2023-03-03 | — | — | CN | disclosed |
| CN-114874105-A | Preparation method of visible light and water promoted homoallylic amine compound | 大连理工大学 | 2022-08-09 | — | — | CN | disclosed |