Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.40 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.39 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.39 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 2/20 | 0.39 |
| ▸ | LAP3 | P28838 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL5934300 | 0.86 | ALDH1A1 (0.41) | ALDH1A1LTA4HSLC15A1SLC1A3SLC1A2 | |
| SCHEMBL28294078 | 0.86 | TSHR (0.47) | ALDH1A1LTA4HSLC15A1SLC1A3SLC1A2 | |
| SCHEMBL21611660 | 0.77 | LTA4H (0.51) | ALDH1A1LTA4HSLC15A1SLC1A3SLC1A2 | |
| SCHEMBL6982936 | 0.77 | LTA4H (0.51) | ALDH1A1LTA4HSLC15A1SLC1A3SLC1A2 | |
| Hydrochloric Acid SCHEMBL21612229 | 0.76 | ALDH1A1 (0.56) | ALDH1A1LTA4HSLC15A1SLC1A3SLC1A2 | |
| SCHEMBL313062 | 0.75 | ALDH1A1 (0.60) | ALDH1A1LTA4HSLC15A1SLC1A3SLC1A2 | |
| SCHEMBL2135198 | 0.75 | ALDH1A1 (0.60) | ALDH1A1LTA4HSLC15A1SLC1A3SLC1A2 | |
| SCHEMBL728752 | 0.75 | ALDH1A1 (0.60) | ALDH1A1LTA4HSLC15A1SLC1A3SLC1A2 | |
| SCHEMBL27559224 | 0.75 | ANPEP (0.48) | ALDH1A1ELANELAP3L3MBTL1TDP1 | |
| SCHEMBL27559223 | 0.75 | ANPEP (0.48) | ALDH1A1ELANELAP3L3MBTL1TDP1 |
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-109689063-A | Nucleotide containing alkynes and nucleosides therapeutic combination and its associated uses | 埃默里大学 | 2019-04-26 | — | — | CN | disclosed |