Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | KLK7 | P49862 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | GRK6 | P43250 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29058731 | 0.83 | CES1 (0.50) | KEAP1NFE2L2ALDH1A1KDM4EGAA | |
| SCHEMBL28626808 | 0.77 | KDM4E (0.49) | KEAP1NFE2L2ALDH1A1KDM4EGAA | |
| SCHEMBL278425 | 0.73 | KEAP1 (0.49) | KEAP1NFE2L2ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL9465440 | 0.72 | KLK7 (0.43) | ALDH1A1KDM4EKLK7HSD17B10TSHR | |
| SCHEMBL3729474 | 0.71 | ALDH1A1 (0.45) | ALDH1A1KDM4EGAAIKBKBHSD17B10 | |
| SCHEMBL29135 | 0.71 | KEAP1 (0.55) | KEAP1NFE2L2ALDH1A1KDM4EGAA | |
| SCHEMBL3605803 | 0.70 | KEAP1 (0.75) | KEAP1NFE2L2ALDH1A1KDM4EGAA | |
| SCHEMBL31124805 | 0.70 | KDM4E (0.44) | ALDH1A1KDM4EGAAIKBKBHSD17B10 | |
| SCHEMBL16011384 | 0.70 | KDM4E (0.44) | ALDH1A1KDM4EGAAIKBKBHSD17B10 | |
| SCHEMBL5013946 | 0.70 | KDM4E (0.44) | ALDH1A1KDM4EGAAIKBKBHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1360167-A1 | SYMMETRICALLY DISUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING POLY (ADP-RIBOSE) GLYCOHYDROLASE, AND METHODS FOR THEIR USE | GUILFORD PHARMACEUTICALS INC. (US) | 2003-11-12 | — | — | EP | disclosed |
| WO-2002057211-A1 | SYMMETRICALLY DISUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING POLY (ADP-RIBOSE) GLYCOHYDROLASE, AND METHODS FOR THEIR USE | GUILFORD PHARMACEUTICALS, INC. (US) | 2002-07-25 | — | — | WO | disclosed |