Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | ADK | P55263 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GPR3 | P46089 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | CA6 | P23280 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TYMP | P19971 | 1/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28496249 | 0.78 | ESR1 (0.55) | ALDH1A1GPR3HSD17B10ESR1ESR2 | |
| SCHEMBL28486475 | 0.75 | HTR2B (0.45) | KIF11ESR1ESR2 | |
| SCHEMBL16107082 | 0.74 | GSK3B (0.56) | BCHEPARP1GSK3BADKKIF11 | |
| SCHEMBL18943573 | 0.73 | BCHE (0.46) | BCHEPARP1GSK3BADKKIF11 | |
| SCHEMBL6236873 | 0.70 | BCHE (0.41) | BCHEPARP1GSK3BADKKIF11 | |
| SCHEMBL4877585 | 0.69 | PARP1 (0.45) | BCHEPARP1GSK3BADKKIF11 | |
| Carbazole SCHEMBL29177682 | 0.68 | ALDH1A1 (0.50) | BCHEGSK3BADKKIF11ALDH1A1 | |
| SCHEMBL29986487 | 0.67 | BCHE (0.64) | BCHEKIF11ALDH1A1GPR3HSD17B10 | |
| SCHEMBL147411 | 0.67 | BCHE (0.64) | BCHEKIF11ALDH1A1GPR3HSD17B10 | |
| SCHEMBL5887544 | 0.65 | ALDH1A1 (0.42) | ALDH1A1HSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111848488-B | Method for synthesizing 3-selenoindole derivative | 温州医科大学 | 2022-12-27 | — | — | CN | disclosed |
| CN-111848488-A | Method for synthesizing 3-selenoindole derivative | 温州医科大学 | 2020-10-30 | — | — | CN | disclosed |