Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 16/20 | 0.78 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.70 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.67 |
| ▸ | NPC1 | O15118 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 1/20 | 0.67 |
| ▸ | RAB9A | P51151 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL28632889 | 0.90 | ABCB1 (0.73) | SIGMAR1ABCB1ABCG2KDM4ENPC1 | |
| SCHEMBL8786926 | 0.89 | SIGMAR1 (0.78) | SIGMAR1KDM4ENPC1ALDH1A1MAPT | |
| SCHEMBL8786494 | 0.88 | SIGMAR1 (0.77) | SIGMAR1KDM4ENPC1ALDH1A1MAPT | |
| SCHEMBL8786565 | 0.88 | SIGMAR1 (0.80) | SIGMAR1 | |
| SCHEMBL8786543 | 0.86 | SIGMAR1 (0.79) | SIGMAR1 | |
| SCHEMBL27904865 | 0.86 | SIGMAR1 (1.00) | SIGMAR1ABCB1ABCG2KDM4ENPC1 | |
| SCHEMBL8787231 | 0.86 | SIGMAR1 (1.00) | SIGMAR1 | |
| SCHEMBL8788283 | 0.86 | SIGMAR1 (1.00) | SIGMAR1 | |
| SCHEMBL8787025 | 0.86 | SIGMAR1 (1.00) | SIGMAR1 | |
| SCHEMBL8786706 | 0.86 | SIGMAR1 (1.00) | SIGMAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113512018-B | Flavonoid compound and preparation method and application thereof | 合肥工业大学 | 2023-07-18 | — | — | CN | claimed |
| CN-113512018-B | Flavonoid compound and preparation method and application thereof | 合肥工业大学 | 2023-07-18 | — | — | CN | disclosed |
| CN-113512018-A | Flavonoid compound and preparation method and application thereof | 合肥工业大学 | 2021-10-19 | — | — | CN | disclosed |