Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 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 | |
|---|---|---|---|---|
| SCHEMBL2282082 | 0.96 | TRPA1 (0.41) | TRPA1ALDH1A1TSHRTDP1CA2 | |
| SCHEMBL668814 | 0.84 | TRPA1 (0.47) | TRPA1ALDH1A1TSHRTDP1CA2 | |
| SCHEMBL2267090 | 0.84 | TRPA1 (0.47) | TRPA1ALDH1A1TSHRTDP1CA2 | |
| SCHEMBL291792 | 0.79 | ALDH1A1 (0.46) | TRPA1ALDH1A1TSHRTDP1CA2 | |
| SCHEMBL29833702 | 0.79 | ALDH1A1 (0.46) | TRPA1ALDH1A1TSHRTDP1CA2 | |
| SCHEMBL7803366 | 0.78 | ALDH1A1 (0.32) | TRPA1ALDH1A1TSHRTDP1KIF11 | |
| SCHEMBL11667207 | 0.78 | TRPA1 (0.46) | TRPA1ALDH1A1TSHRTDP1CA2 | |
| SCHEMBL27721857 | 0.77 | TRPA1 (0.45) | TRPA1ALDH1A1TSHRTDP1CA2 | |
| SCHEMBL23673812 | 0.77 | KIF11 (0.38) | ALDH1A1TDP1KIF11 | |
| SCHEMBL1901592 | 0.77 | KIF11 (0.38) | ALDH1A1TDP1KIF11 |
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-115124474-A | N-heterocyclic structure-containing andrographolide derivative and preparation method and application thereof | 郑州大学 | 2022-09-30 | — | — | CN | claimed |