Predicted protein targets (top 19)
| 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 |
| ▸ | SLC15A1 | P46059 | 2/20 | 0.50 |
| ▸ | CASP1 | P29466 | 4/20 | 0.48 |
| ▸ | 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 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CDC25B | P30305 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | MME | P08473 | 1/20 | 0.44 |
| ▸ | ECE1 | P42892 | 1/20 | 0.44 |
| ▸ | FOLH1 | Q04609 | 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 | |
|---|---|---|---|---|
| SCHEMBL28709501 | 0.91 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1MMP9SLC15A1 | |
| SCHEMBL2912589 | 0.89 | CASP1 (0.60) | ALDH1A1CASP1CTRB1PPARGPPARA | |
| SCHEMBL2912586 | 0.89 | CASP1 (0.60) | ALDH1A1CASP1CTRB1PPARGPPARA | |
| SCHEMBL7583002 | 0.89 | CASP1 (0.60) | ALDH1A1CASP1CTRB1PPARGPPARA | |
| SCHEMBL27895748 | 0.88 | TACR1 (0.53) | ALDH1A1MAPK1L3MBTL1MMP9SLC15A1 | |
| SCHEMBL13412924 | 0.88 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1MMP9SLC15A1 | |
| SCHEMBL755795 | 0.87 | MMP9 (0.52) | ALDH1A1MAPK1L3MBTL1MMP9SLC15A1 | |
| SCHEMBL22356651 | 0.85 | FOLH1 (0.54) | ALDH1A1MAPK1L3MBTL1CASP1KMT2A | |
| SCHEMBL12626917 | 0.85 | FOLH1 (0.54) | ALDH1A1MAPK1L3MBTL1CASP1KMT2A | |
| SCHEMBL9448685 | 0.84 | SLC15A1 (0.53) | ALDH1A1MAPK1L3MBTL1MMP9SLC15A1 |
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-2022234853-A1 | CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS | 中外製薬株式会社 | 2022-11-10 | — | — | WO | disclosed |