Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | CA1 | P00915 | 4/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA4 | P22748 | 2/20 | 0.49 |
| ▸ | CA7 | P43166 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 4/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2248903 | 0.81 | CYP2D6 (0.62) | CYP2D6KDM4ECYP2C19ALDH1A1LMNA | |
| SCHEMBL4620115 | 0.81 | CYP2D6 (0.62) | CYP2D6KDM4ECYP2C19ALDH1A1LMNA | |
| SCHEMBL4620854 | 0.81 | CYP2D6 (0.62) | CYP2D6KDM4ECYP2C19ALDH1A1LMNA | |
| SCHEMBL28520840 | 0.77 | CYP2D6 (0.45) | CYP2D6KDM4ECA1CYP2C19ALDH1A1 | |
| SCHEMBL14031124 | 0.76 | CYP2D6 (0.65) | CYP2D6KDM4ECYP2C19ALDH1A1LMNA | |
| SCHEMBL2951470 | 0.75 | CYP2D6 (0.53) | CYP2D6KDM4ECYP2C19ALDH1A1LMNA | |
| SCHEMBL1759589 | 0.72 | CYP2D6 (0.56) | CYP2D6KDM4ECYP2C19ALDH1A1LMNA | |
| SCHEMBL6423324 | 0.72 | CYP2D6 (0.60) | CYP2D6KDM4ECYP2C19ALDH1A1LMNA | |
| SCHEMBL27885968 | 0.72 | CYP2D6 (0.56) | CYP2D6KDM4ECYP2C19ALDH1A1LMNA | |
| SCHEMBL11932941 | 0.71 | HTT (0.60) | CYP2D6KDM4ECYP2C19ALDH1A1LMNA |
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-108658822-B | Aryl alkyl selenide compound and preparation method thereof | 温州医科大学 | 2020-10-13 | — | — | CN | disclosed |