Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.50 |
| ▸ | CLK2 | P49760 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | XDH | P47989 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2970150 | 0.93 | CYP19A1 (0.56) | CYP19A1CLK2EPHX2ALDH1A1MAPT | |
| SCHEMBL22422561 | 0.91 | CYP19A1 (0.55) | CYP19A1CLK2EPHX2ALDH1A1CYP3A4 | |
| SCHEMBL2961584 | 0.88 | CYP19A1 (0.54) | CYP19A1CLK2EPHX2ALDH1A1CYP3A4 | |
| SCHEMBL31053988 | 0.88 | CYP19A1 (0.54) | CYP19A1CLK2EPHX2ALDH1A1CYP3A4 | |
| SCHEMBL11636008 | 0.87 | CLK2 (0.53) | CYP19A1CLK2EPHX2ALDH1A1CYP3A4 | |
| SCHEMBL2956557 | 0.85 | CYP19A1 (0.56) | CYP19A1CYP3A4MAPK1CYP1A1CYP1A2 | |
| SCHEMBL2968452 | 0.85 | CYP19A1 (0.62) | CYP19A1CLK2EPHX2ALDH1A1CYP3A4 | |
| SCHEMBL2960299 | 0.84 | CYP1A1 (0.61) | CYP19A1ALDH1A1CYP3A4TP53XDH | |
| SCHEMBL29066388 | 0.84 | ABCG2 (0.59) | CYP19A1CLK2EPHX2ALDH1A1CYP3A4 | |
| (2S)-3',4'-Dihydroxy-5,7-Dimethoxyflavan SCHEMBL2968482 | 0.83 | CYP19A1 (0.52) | CYP19A1CLK2EPHX2ALDH1A1CYP3A4 |
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-118634256-A | Preparation method of holly extract | 浙江理工大学绍兴生物医药研究院有限公司 | 2024-09-13 | — | — | CN | disclosed |