Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 4/20 | 0.33 |
| ▸ | AR | P10275 | 2/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
| ▸ | MAPKAPK2 | P49137 | 5/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | NSD2 | O96028 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28842000 | 1.00 | ALDH1A1 (0.37) | ALDH1A1GAARORCARPTPN11 | |
| SCHEMBL22619977 | 0.89 | POLB (0.35) | ALDH1A1GAAARPOLBHTT | |
| SCHEMBL20605383 | 0.89 | POLB (0.35) | ALDH1A1GAAARPOLBHTT | |
| SCHEMBL28841996 | 0.85 | MAPT (0.32) | ALDH1A1ARPOLBHTT | |
| SCHEMBL1192514 | 0.85 | POLB (0.38) | ALDH1A1GAAPOLBHTT | |
| SCHEMBL20838797 | 0.85 | POLB (0.38) | ALDH1A1GAAPOLBHTT | |
| SCHEMBL29677017 | 0.85 | POLB (0.38) | ALDH1A1GAAPOLBHTT | |
| SCHEMBL1192515 | 0.85 | POLB (0.38) | ALDH1A1GAAPOLBHTT | |
| SCHEMBL30125784 | 0.82 | BCHE (0.40) | ARPTPN11AAK1CA1CA2 | |
| SCHEMBL20605467 | 0.81 | IDO1 (0.34) | ALDH1A1GAAPOLBHTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107141293-B | Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2022-09-23 | — | — | CN | disclosed |
| CN-115057861-A | Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2022-09-16 | — | — | CN | disclosed |