Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.49 |
| ▸ | EDNRB | P24530 | 1/20 | 0.44 |
| ▸ | EDNRA | P25101 | 1/20 | 0.44 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7772416 | 0.87 | KDM4E (0.62) | ACHEKDM4ELMNAPOLBMAPT | |
| SCHEMBL6382066 | 0.86 | ACHE (0.60) | ACHEKDM4ELMNAPOLBMAPT | |
| SCHEMBL6384868 | 0.81 | KDM4E (0.56) | ACHEKDM4ELMNAPOLBMAPT | |
| SCHEMBL28527510 | 0.81 | ACHE (0.55) | ACHEKDM4ELMNAPOLBMAPT | |
| SCHEMBL25604493 | 0.79 | ACHE (0.68) | ACHEKDM4ELMNAPOLBMAPT | |
| SCHEMBL13938126 | 0.77 | ACHE (0.45) | ACHEKDM4ELMNAPOLBMAPT | |
| SCHEMBL31297867 | 0.77 | ACHE (0.70) | ACHEKDM4ELMNAPOLBMAPT | |
| SCHEMBL15746282 | 0.77 | ACHE (1.00) | ACHEKDM4ELMNAPOLBMAPT | |
| SCHEMBL7777529 | 0.77 | MAPT (0.64) | ACHEKDM4ELMNAPOLBMAPT | |
| SCHEMBL28899595 | 0.76 | ACHE (0.49) | ACHEKDM4ELMNAPOLBMAPT |
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-109293506-B | Method for continuously preparing chiral alpha-hydroxy-beta-dicarbonyl compound by visible light catalytic molecular oxygen oxidation through microreactor | 大连理工大学 | 2021-01-19 | — | — | CN | disclosed |