Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.33 |
| ▸ | S100B | P04271 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | GFER | P55789 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | CRHR1 | P34998 | 3/20 | 0.30 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.30 |
| ▸ | ELANE | P08246 | 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 | |
|---|---|---|---|---|
| SCHEMBL27555107 | 0.80 | S100B (0.36) | ALDH1A3S100BALDH1A1GAAMAPT | |
| SCHEMBL27673462 | 0.75 | NR3C1 (0.36) | S100BALDH1A1GAAMAPTNOS3 | |
| SCHEMBL3456090 | 0.74 | NOS2 (0.43) | NOS3NOS2TSHR | |
| SCHEMBL395141 | 0.72 | ALDH1A3 (0.38) | ALDH1A3ALDH1A1GAAMAPTPSMD14 | |
| SCHEMBL2954428 | 0.71 | NOS2 (0.42) | S100BALDH1A1MAPTNOS3NOS2 | |
| SCHEMBL2270836 | 0.71 | ALDH1A3 (0.33) | ALDH1A3ALDH1A1GAAMAPTPSMD14 | |
| SCHEMBL4300630 | 0.70 | TRPA1 (0.39) | S100BALDH1A1MAPTCYP3A4TSHR | |
| SCHEMBL5681241 | 0.69 | ALDH1A1 (0.35) | ALDH1A3ALDH1A1GAAMAPTCYP3A4 | |
| SCHEMBL29373928 | 0.69 | TDP2 (0.34) | ALDH1A1MAPTNOS3NOS2TSHR | |
| SCHEMBL1086573 | 0.69 | TDP2 (0.34) | ALDH1A1MAPTNOS3NOS2TSHR |
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-113813982-A | Integral N-modified TS-1 catalyst carrier and preparation method thereof | 华东理工大学 | 2021-12-21 | — | — | CN | claimed |
| CN-113813982-A | Integral N-modified TS-1 catalyst carrier and preparation method thereof | 华东理工大学 | 2021-12-21 | — | — | CN | disclosed |