Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.65 |
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | IDO1 | P14902 | 5/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | AGXT | P21549 | 2/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11437812 | 0.83 | ALDH1A1 (0.68) | ALDH1A1ALOX15TP53CYP3A4TSHR | |
| SCHEMBL244069 | 0.83 | ALDH1A1 (0.68) | ALDH1A1ALOX15TP53CYP3A4TSHR | |
| SCHEMBL190915 | 0.81 | ALDH1A1 (0.65) | ALDH1A1ALOX15TP53CYP3A4TSHR | |
| SCHEMBL3933929 | 0.81 | ALDH1A1 (0.65) | ALDH1A1ALOX15TP53CYP3A4TSHR | |
| SCHEMBL4457868 | 0.80 | ALDH1A1 (0.59) | ALDH1A1ALOX15TP53CYP3A4TSHR | |
| SCHEMBL8474430 | 0.79 | ALDH1A1 (0.63) | ALDH1A1ALOX15TP53CYP3A4TSHR | |
| SCHEMBL8318176 | 0.79 | ALDH1A1 (0.63) | ALDH1A1ALOX15TP53CYP3A4TSHR | |
| Estragole SCHEMBL900647 | 0.79 | ALDH1A1 (1.00) | ALDH1A1ALOX15TP53CYP3A4TSHR | |
| SCHEMBL3296567 | 0.79 | ALDH1A1 (0.63) | ALDH1A1ALOX15TP53CYP3A4TSHR | |
| Estragole SCHEMBL57204 | 0.79 | ALDH1A1 (1.00) | ALDH1A1ALOX15TP53CYP3A4TSHR |
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-116554862-A | Zinc-based metal halide room-temperature phosphorescent material, and preparation method and application thereof | 南京邮电大学 | 2023-08-08 | — | — | CN | disclosed |