Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 1.00 |
| ▸ | GSK3B | P49841 | 1/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.73 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.73 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.73 |
| ▸ | TSHR | P16473 | 2/20 | 0.73 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.73 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.73 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.73 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.73 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.73 |
| ▸ | MEN1 | O00255 | 1/20 | 0.73 |
| ▸ | MAPT | P10636 | 1/20 | 0.73 |
| ▸ | HPGD | P15428 | 1/20 | 0.73 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.73 |
| ▸ | LMNA | P02545 | 2/20 | 0.73 |
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 | |
|---|---|---|---|---|
| Notopterol SCHEMBL30888273 | 1.00 | BACE1 (1.00) | BACE1GSK3BCYP3A4KDM4EALDH1A1 | |
| Isoimperatorin SCHEMBL15090959 | 0.85 | ALDH1A1 (1.00) | BACE1GSK3BCYP3A4KDM4EALDH1A1 | |
| Bergamottin SCHEMBL29556462 | 0.85 | CYP3A4 (1.00) | BACE1GSK3BCYP3A4KDM4EALDH1A1 | |
| Bergamottin SCHEMBL7183139 | 0.85 | CYP3A4 (1.00) | BACE1GSK3BCYP3A4KDM4EALDH1A1 | |
| Bergamottin SCHEMBL14029418 | 0.85 | CYP3A4 (1.00) | BACE1GSK3BCYP3A4KDM4EALDH1A1 | |
| Bergamottin SCHEMBL569529 | 0.85 | CYP3A4 (1.00) | BACE1GSK3BCYP3A4KDM4EALDH1A1 | |
| Dihydroxybergamottin SCHEMBL30173389 | 0.82 | CYP3A4 (1.00) | BACE1GSK3BCYP3A4KDM4EALDH1A1 | |
| Dihydroxybergamottin SCHEMBL29540910 | 0.82 | CYP3A4 (1.00) | BACE1GSK3BCYP3A4KDM4EALDH1A1 | |
| 6',7'-Epoxybergamottin SCHEMBL28859461 | 0.79 | CYP3A4 (0.74) | BACE1GSK3BCYP3A4KDM4EALDH1A1 | |
| SCHEMBL30375774 | 0.79 | CYP3A4 (0.72) | BACE1GSK3BCYP3A4KDM4EALDH1A1 |
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-115671096-A | Application of 6-methoxy angelicin and structural analogue thereof | 西北工业大学 | 2023-02-03 | — | — | CN | disclosed |