Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | PMM2 | O15305 | 1/20 | 0.45 |
| ▸ | MPI | P34949 | 1/20 | 0.45 |
| ▸ | PHOSPHO1 | Q8TCT1 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 2/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | HTR5A | P47898 | 1/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 5/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL274318 | 1.00 | KDM4E (0.56) | KDM4EATML3MBTL1HSP90AA1ALDH1A1 | |
| SCHEMBL13956890 | 0.96 | KDM4E (0.60) | KDM4EATML3MBTL1HSP90AA1ALDH1A1 | |
| SCHEMBL10450016 | 0.94 | KDM4E (0.50) | KDM4EATML3MBTL1HSP90AA1ALDH1A1 | |
| SCHEMBL16409623 | 0.94 | KDM4E (0.50) | KDM4EATML3MBTL1HSP90AA1ALDH1A1 | |
| SCHEMBL21671315 | 0.94 | KDM4E (0.50) | KDM4EATML3MBTL1HSP90AA1ALDH1A1 | |
| SCHEMBL6938289 | 0.94 | KDM4E (0.50) | KDM4EATML3MBTL1HSP90AA1ALDH1A1 | |
| SCHEMBL16409588 | 0.94 | KDM4E (0.50) | KDM4EATML3MBTL1HSP90AA1ALDH1A1 | |
| SCHEMBL21671366 | 0.94 | KDM4E (0.50) | KDM4EATML3MBTL1HSP90AA1ALDH1A1 | |
| SCHEMBL16917379 | 0.94 | KDM4E (0.54) | KDM4EATML3MBTL1HSP90AA1ALDH1A1 | |
| SCHEMBL13828934 | 0.93 | KDM4E (0.48) | KDM4EATML3MBTL1HSP90AA1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117776830-A | Full deuteration preparation method of polycyclic aromatic hydrocarbon | 宁波萃英化学技术有限公司 | 2024-03-29 | — | — | CN | claimed |
| CN-117776830-A | Full deuteration preparation method of polycyclic aromatic hydrocarbon | 宁波萃英化学技术有限公司 | 2024-03-29 | — | — | CN | disclosed |
| CN-115974764-A | Hole transport material and organic electroluminescent device comprising the same | 罗门哈斯电子材料韩国有限公司 | 2023-04-18 | — | — | CN | disclosed |
| CN-113004262-B | Organic material and application thereof | 北京云基科技股份有限公司 | 2023-02-17 | — | — | CN | disclosed |