Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 4/20 | 0.33 |
| ▸ | FAAH | O00519 | 4/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | DGKA | P23743 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6009430 | 0.83 | ALDH1A1 (0.48) | ALDH1A1PLA2G2CHTTATMCES2 | |
| SCHEMBL3625335 | 0.81 | ALDH1A1 (0.54) | ALDH1A1ATMTSHRHPGDESR1 | |
| SCHEMBL3155224 | 0.78 | ALDH1A1 (0.48) | ALDH1A1ATMCES2TSHRHPGD | |
| SCHEMBL21943245 | 0.78 | PLA2G2C (0.48) | ALDH1A1PLA2G2CHTTATMCES2 | |
| SCHEMBL31364514 | 0.77 | ALDH1A1 (0.50) | ALDH1A1ATMTSHRHPGDFAAH | |
| SCHEMBL14721547 | 0.77 | HTT (0.46) | HTTL3MBTL1 | |
| SCHEMBL608280 | 0.75 | HTT (0.45) | ALDH1A1PLA2G2CHTTATMCES2 | |
| SCHEMBL2217467 | 0.75 | NAAA (0.52) | ALDH1A1ATMTSHRFAAHHCAR2 | |
| SCHEMBL42970 | 0.74 | ALDH1A1 (0.44) | ALDH1A1ATMCES2TSHRHPGD | |
| SCHEMBL7058430 | 0.73 | ALDH1A1 (0.35) | ALDH1A1ATMTSHRHPGDHCAR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003057896-A1 | METHODS FOR PREPARING ANTHRACYCLINONE DERIVATIVES AND ANTHRACYCLINONE DERIVATIVES PER SE | ALBANY MOLECULAR RESEARCH, INC. (US) | 2003-07-17 | — | — | WO | disclosed |