Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.46 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.46 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6237784 | 0.82 | ALDH1A1 (0.52) | ALDH1A1SLC1A3SLC1A2SLC1A1GAA | |
| SCHEMBL11254941 | 0.81 | ALDH1A1 (0.47) | ALDH1A1SLC1A3SLC1A2SLC1A1GAA | |
| SCHEMBL1845031 | 0.79 | ALDH1A1 (0.53) | ALDH1A1SLC1A3SLC1A2SLC1A1GAA | |
| SCHEMBL17320587 | 0.78 | ALDH1A1 (0.47) | ALDH1A1SLC1A3SLC1A2SLC1A1GAA | |
| SCHEMBL19251019 | 0.76 | ALDH1A1 (0.46) | ALDH1A1SLC1A3SLC1A2SLC1A1GAA | |
| SCHEMBL4620314 | 0.76 | ALDH1A1 (0.50) | ALDH1A1SLC1A3SLC1A2SLC1A1GAA | |
| SCHEMBL4620318 | 0.76 | ALDH1A1 (0.50) | ALDH1A1SLC1A3SLC1A2SLC1A1GAA | |
| SCHEMBL872796 | 0.76 | — | — | |
| SCHEMBL23089952 | 0.75 | SLC1A3 (0.48) | ALDH1A1SLC1A3SLC1A2SLC1A1GAA | |
| SCHEMBL28264711 | 0.74 | — | — |
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-106458579-A | Hydrogenation of oxidized molecules from biomass refining | 威尔迪亚公司 | 2017-02-22 | — | — | CN | disclosed |