Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | NQO2 | P16083 | 9/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 9/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.48 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA3 | P07451 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | CA6 | P23280 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28141273 | 0.77 | ALDH1A1 (0.65) | ALDH1A1TSHRNQO2PTGS1PTGS2 | |
| SCHEMBL28235567 | 0.77 | ALDH1A1 (0.54) | ALDH1A1TSHRNQO2MAPTNPC1 | |
| SCHEMBL28193732 | 0.76 | ALDH1A1 (0.52) | ALDH1A1TSHRPTGS1PTGS2EGFR | |
| SCHEMBL28300904 | 0.76 | TSHR (0.52) | ALDH1A1TSHRPTGS1EGFRCYP1A2 | |
| SCHEMBL28190204 | 0.76 | TSHR (0.52) | ALDH1A1TSHRPTGS1EGFRCYP1A2 | |
| SCHEMBL10365751 | 0.75 | PTGS1 (0.56) | ALDH1A1NQO2PTGS1PTGS2LCK | |
| SCHEMBL13885840 | 0.73 | LCK (0.41) | ALDH1A1TSHRNQO2PTGS1PTGS2 | |
| SCHEMBL20374865 | 0.72 | ALDH1A1 (0.48) | ALDH1A1TSHRPTGS1PTGS2TRPA1 | |
| SCHEMBL28489354 | 0.71 | PTGS2 (0.61) | ALDH1A1NQO2PTGS1PTGS2CA5A | |
| SCHEMBL13077183 | 0.70 | ALDH1A1 (0.67) | ALDH1A1TSHRPTGS1PTGS2EGFR |
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 |