Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | EED | O75530 | 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 | |
|---|---|---|---|---|
| SCHEMBL28778284 | 0.96 | ABCG2 (0.37) | ABCG2ARPDCD1CD274EED | |
| SCHEMBL31634143 | 0.82 | ABCG2 (0.39) | ABCG2EED | |
| SCHEMBL29754286 | 0.81 | ABCG2 (0.35) | ABCG2EED | |
| SCHEMBL26180986 | 0.79 | ABCG2 (0.37) | ABCG2EED | |
| SCHEMBL19500892 | 0.79 | GABRA1 (0.38) | ABCG2 | |
| SCHEMBL7394171 | 0.79 | PNMT (0.40) | ABCG2EED | |
| SCHEMBL30874548 | 0.79 | PNMT (0.40) | ABCG2EED | |
| SCHEMBL28778285 | 0.79 | ABCG2 (0.37) | ABCG2EED | |
| SCHEMBL31285847 | 0.77 | AKR1B1 (0.42) | — | |
| SCHEMBL31405456 | 0.76 | ABCG2 (0.34) | ABCG2EED |
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-114437094-A | Alkaloid with antitumor activity, and preparation method and application thereof | 西藏大学 | 2022-05-06 | — | — | CN | disclosed |