Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | PLIN1 | O60240 | 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 | |
|---|---|---|---|---|
| SCHEMBL28540388 | 1.00 | CA1 (0.43) | CA1CA2CA7CA9ALDH1A1 | |
| SCHEMBL28541543 | 0.87 | CA1 (0.47) | CA1CA2CA7CA9ALDH1A1 | |
| SCHEMBL29203061 | 0.84 | CA1 (0.38) | CA1CA2CA7CA9ALDH1A1 | |
| SCHEMBL28535270 | 0.82 | CA1 (0.43) | CA1CA2CA7CA9ALDH1A1 | |
| SCHEMBL28534752 | 0.82 | MAPT (0.39) | CA1CA2CA7CA9ALDH1A1 | |
| SCHEMBL28534914 | 0.82 | CA1 (0.43) | CA1CA2CA7CA9ALDH1A1 | |
| SCHEMBL28533193 | 0.82 | MAPT (0.39) | CA1CA2CA7CA9ALDH1A1 | |
| SCHEMBL29203148 | 0.81 | ALDH1A1 (0.40) | ALDH1A1MAPK1GAAMAPTKDM4E | |
| SCHEMBL28899602 | 0.77 | CNR2 (0.39) | CA1CA2CA7CA9ACHE | |
| SCHEMBL6580559 | 0.75 | ALDH1A1 (0.45) | ALDH1A1TSHRPARP1MAPTMEN1 |
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-108516937-B | Method for preparing chiral alpha-hydroxy-beta-keto ester compound by visible light-initiated aerobic Salan-copper catalyst | 大连理工大学 | 2021-03-26 | — | — | CN | disclosed |