Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | XDH | P47989 | 1/20 | 0.46 |
| ▸ | PYGL | P06737 | 9/20 | 0.45 |
| ▸ | CHAT | P28329 | 1/20 | 0.44 |
| ▸ | KDM4A | O75164 | 1/20 | 0.44 |
| ▸ | KDM4B | O94953 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | GUSB | P08236 | 1/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 1/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.40 |
| ▸ | CCND1 | P24385 | 1/20 | 0.40 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2089137 | 0.92 | ALDH1A1 (0.61) | ALDH1A1XDHPYGLCHATKDM4A | |
| SCHEMBL3922988 | 0.92 | ALDH1A1 (0.61) | ALDH1A1XDHPYGLCHATKDM4A | |
| SCHEMBL11464283 | 0.87 | ALDH1A1 (0.58) | ALDH1A1PYGLCHATKDM4AKDM4B | |
| SCHEMBL10973260 | 0.78 | ALDH1A1 (0.64) | ALDH1A1PYGLCHATKDM4AKDM4B | |
| SCHEMBL10973255 | 0.78 | ALDH1A1 (0.64) | ALDH1A1PYGLCHATKDM4AKDM4B | |
| SCHEMBL7807620 | 0.78 | CHAT (0.50) | ALDH1A1PYGLCHATKDM4AKDM4B | |
| SCHEMBL7807626 | 0.78 | CHAT (0.50) | ALDH1A1PYGLCHATKDM4AKDM4B | |
| SCHEMBL14931461 | 0.78 | AHR (0.54) | ALDH1A1PYGLCHATKDM4AKDM4B | |
| SCHEMBL2556501 | 0.77 | HDAC3 (0.53) | ALDH1A1XDHKDM4EMAPTTRPA1 | |
| SCHEMBL2556498 | 0.77 | HDAC3 (0.53) | ALDH1A1XDHKDM4EMAPTTRPA1 |
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-109942553-B | Synthesis and conversion method of chiral 3,4, 6-trisubstituted tetrahydro 2H-pyran-2-one compound | 大连理工大学 | 2020-09-29 | — | — | CN | disclosed |