Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | APLNR | P35414 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.33 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11165576 | 0.80 | CA1 (0.48) | CA1CA2ALDH1A1GAAAPLNR | |
| SCHEMBL14039453 | 0.79 | CA1 (0.47) | CA1CA2ALDH1A1GAAAPLNR | |
| Hydrochloric Acid SCHEMBL28901493 | 0.76 | CA1 (0.44) | CA1CA2ALDH1A1GAAAPLNR | |
| SCHEMBL10320491 | 0.76 | CA1 (0.56) | CA1CA2ALDH1A1GAAMEN1 | |
| SCHEMBL5042303 | 0.74 | IDO1 (0.56) | CA1CA2ALDH1A1APLNRIDO1 | |
| SCHEMBL8427262 | 0.72 | HTR1A (0.40) | IDO1ADRA1ATAAR1 | |
| Magnesium Chloride Anhydrous SCHEMBL28901492 | 0.72 | CA1 (0.44) | CA1CA2ALDH1A1GAAMEN1 | |
| SCHEMBL12401792 | 0.72 | CA1 (0.42) | CA1CA2ALDH1A1GAAAPLNR | |
| SCHEMBL8225342 | 0.71 | CA1 (0.45) | CA1CA2ALDH1A1GAAMEN1 | |
| SCHEMBL12883816 | 0.71 | CA1 (0.50) | CA1CA2ALDH1A1GAAALOX5 |
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-111943817-B | Resveratrol analogue containing long conjugated structure and preparation method and application thereof | 西安医学院 | 2023-05-16 | — | — | CN | disclosed |