Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 3/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29051181 | 0.79 | ALDH1A1 (0.47) | ALDH1A1MAPTKMT2AMEN1HPGD | |
| SCHEMBL28951054 | 0.78 | CTSK (0.49) | ALDH1A1HIF1ATSHRLMNA | |
| SCHEMBL28266211 | 0.77 | CTSL (0.38) | ALDH1A1MAPTKMT2ATDP1MAPK1 | |
| SCHEMBL7531427 | 0.73 | CTSK (0.50) | ALDH1A1TSHRLMNA | |
| SCHEMBL28439190 | 0.71 | HSD17B10 (0.36) | ALDH1A1MAPTKMT2ATDP1CYP3A4 | |
| SCHEMBL28528631 | 0.71 | CES1 (0.36) | ALDH1A1KMT2ACYP3A4HPGDCES1 | |
| SCHEMBL756574 | 0.68 | ALDH1A1 (0.50) | ALDH1A1MAPTKMT2ATDP1MAPK1 | |
| SCHEMBL26135641 | 0.68 | AKR1C1 (0.44) | KMT2AMEN1 | |
| SCHEMBL28589924 | 0.68 | — | — | |
| SCHEMBL29253940 | 0.68 | USP2 (0.33) | ALDH1A1SMN1; SMN2TSHRBLMLMNA |
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-109096150-B | Method for preparing beta-aminoketone by photoinduction nonmetal catalysis | 中国科学技术大学 | 2020-08-25 | — | — | CN | disclosed |