Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 6/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.34 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.34 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.34 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4124 | 0.89 | ALDH1A1 (0.50) | ALDH1A1TSHRKIF11IDO1CES2 | |
| SCHEMBL28220310 | 0.87 | ALDH1A1 (0.48) | ALDH1A1TSHRKIF11IDO1CES2 | |
| SCHEMBL27633858 | 0.87 | ALDH1A1 (0.48) | ALDH1A1TSHRKIF11IDO1CES2 | |
| SCHEMBL11780153 | 0.87 | ALDH1A1 (0.48) | ALDH1A1TSHRKIF11IDO1CES2 | |
| SCHEMBL28818315 | 0.87 | ALDH1A1 (0.48) | ALDH1A1TSHRKIF11IDO1CES2 | |
| SCHEMBL28220885 | 0.87 | ALDH1A1 (0.48) | ALDH1A1TSHRKIF11IDO1CES2 | |
| Magnesium Chloride Anhydrous SCHEMBL28021018 | 0.85 | ALDH1A1 (0.42) | ALDH1A1TSHRKIF11CES2CES1 | |
| Aluminum Chloride Anhydrous SCHEMBL28894096 | 0.80 | ALDH1A1 (0.42) | ALDH1A1TSHRKIF11CES2CES1 | |
| SCHEMBL27790939 | 0.76 | ALDH1A1 (0.34) | ALDH1A1TSHRKIF11IDO1TAAR1 | |
| SCHEMBL146915 | 0.75 | KIF11 (0.58) | ALDH1A1TSHRKIF11 |
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-103781752-A | Method for producing alpha-hydroxy ketone compound | SUMITOMO CHEMICAL CO | 2014-05-07 | — | — | CN | disclosed |