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 |
| ▸ | MMP9 | P14780 | 1/20 | 0.52 |
| ▸ | TACR1 | P25103 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | SLC15A1 | P46059 | 2/20 | 0.47 |
| ▸ | ACE | P12821 | 1/20 | 0.45 |
| ▸ | KLK7 | P49862 | 1/20 | 0.45 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 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 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.44 |
| ▸ | CDC25B | P30305 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL24633781 | 0.91 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1MMP9CASP1 | |
| SCHEMBL14177313 | 0.91 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1MMP9TACR1 | |
| SCHEMBL9312398 | 0.89 | CASP1 (0.60) | ALDH1A1TACR1CASP1CTRB1 | |
| SCHEMBL8765627 | 0.89 | CASP1 (0.60) | ALDH1A1TACR1CASP1CTRB1 | |
| SCHEMBL25491977 | 0.87 | MMP9 (0.52) | ALDH1A1MAPK1L3MBTL1MMP9TACR1 | |
| SCHEMBL9682051 | 0.87 | MBTPS1 (0.50) | ALDH1A1MAPK1L3MBTL1MMP9TACR1 | |
| SCHEMBL9681600 | 0.85 | MMP9 (0.48) | ALDH1A1MAPK1L3MBTL1MMP9TACR1 | |
| SCHEMBL25491959 | 0.85 | MMP9 (0.51) | ALDH1A1MAPK1L3MBTL1MMP9TACR1 | |
| SCHEMBL29274063 | 0.85 | MMP9 (0.57) | ALDH1A1MAPK1L3MBTL1MMP9TACR1 | |
| SCHEMBL19511367 | 0.84 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1MMP9TACR1 |
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-109793710-B | Preparation method and application of drug-loaded nano-micelle for treating microenvironment response by combining photothermal chemotherapy | 中山大学 | 2022-04-05 | — | — | CN | disclosed |