Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAOX | Q6QHF9 | 2/20 | 0.50 |
| ▸ | KDM5A | P29375 | 7/20 | 0.46 |
| ▸ | KDM4C | Q9H3R0 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | ADH1B | P00325 | 3/20 | 0.44 |
| ▸ | ADH1A | P07327 | 3/20 | 0.44 |
| ▸ | ADH7 | P40394 | 3/20 | 0.44 |
| ▸ | ADH1C | P00326 | 2/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | ADH4 | P08319 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PHF8 | Q9UPP1 | 2/20 | 0.36 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.35 |
| ▸ | KDM4A | O75164 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16995418 | 0.95 | PAOX (0.49) | PAOXKDM5AKDM4CALDH1A1ADH1B | |
| SCHEMBL16995356 | 0.89 | ADH1B (0.40) | PAOXKDM5AKDM4CALDH1A1ADH1B | |
| SCHEMBL16995373 | 0.88 | KDM5A (0.45) | PAOXKDM5AKDM4CALDH1A1ADH1B | |
| SCHEMBL16995410 | 0.86 | PAOX (0.46) | PAOXKDM5AKDM4CALDH1A1ADH1B | |
| SCHEMBL3317326 | 0.84 | ADH1B (0.48) | PAOXKDM5AKDM4CALDH1A1ADH1B | |
| SCHEMBL1306754 | 0.83 | ADH1B (0.56) | PAOXALDH1A1ADH1BADH1AADH7 | |
| Hydrochloric Acid SCHEMBL4801739 | 0.81 | ADH1B (0.54) | PAOXALDH1A1ADH1BADH1AADH7 | |
| SCHEMBL6560988 | 0.79 | KDM5A (0.53) | KDM5AKDM4CALDH1A1PHF8ALDH2 | |
| SCHEMBL2170369 | 0.79 | ADH1A (0.67) | PAOXKDM5AKDM4CALDH1A1ADH1B | |
| SCHEMBL6449890 | 0.77 | KDM5A (0.69) | KDM5AKDM4CALDH1A1PHF8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2576586-B1 | C-28 AMIDES OF MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2015-08-12 | — | — | EP | disclosed |