Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | SLC15A1 | P46059 | 2/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 3/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CDC25B | P30305 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13936459 | 0.84 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1SLC15A1MMP9 | |
| SCHEMBL16446118 | 0.84 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1SLC15A1MMP9 | |
| SCHEMBL13412924 | 0.84 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1SLC15A1MMP9 | |
| SCHEMBL24633781 | 0.84 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1SLC15A1MMP9 | |
| SCHEMBL9448685 | 0.84 | SLC15A1 (0.53) | ALDH1A1MAPK1L3MBTL1SLC15A1MMP9 | |
| SCHEMBL17995311 | 0.84 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1SLC15A1MMP9 | |
| SCHEMBL21555767 | 0.83 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1SLC15A1MMP9 | |
| SCHEMBL28777999 | 0.83 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1SLC15A1MMP9 | |
| SCHEMBL14655692 | 0.83 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1SLC15A1MMP9 | |
| SCHEMBL14655691 | 0.83 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1SLC15A1MMP9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021202600-A1 | SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ | THE SCRIPPS RESEARCH INSTITUTE (US) | 2021-10-07 | — | — | WO | disclosed |