Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | KDM5C | P41229 | 1/20 | 0.40 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.40 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 3/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29489552 | 0.88 | CTSD (0.68) | CTSDALDH1A1GAAKDM4EKDM5C | |
| Alcohol SCHEMBL28214729 | 0.78 | CTSD (0.64) | CTSDALDH1A1GAAKDM4EKDM5C | |
| SCHEMBL28219205 | 0.78 | ALDH1A1 (0.62) | CTSDALDH1A1GAAKDM4EKDM5C | |
| SCHEMBL49856 | 0.78 | ALDH1A1 (0.62) | CTSDALDH1A1GAAKDM4EKDM5C | |
| SCHEMBL402128 | 0.76 | — | — | |
| Acetone SCHEMBL22554792 | 0.75 | CTSD (0.59) | CTSDALDH1A1GAAKDM4EKDM5C | |
| Acetone SCHEMBL6392906 | 0.75 | CTSD (0.59) | CTSDALDH1A1GAAKDM4EKDM5C | |
| Ammonia Solution, Strong SCHEMBL15129241 | 0.75 | ALDH1A1 (0.60) | CTSDALDH1A1GAAKDM4EKDM5C | |
| SCHEMBL219713 | 0.75 | ALDH1A1 (0.67) | CTSDALDH1A1GAAKDM4EKDM5C | |
| SCHEMBL6636984 | 0.75 | ALDH1A1 (0.67) | CTSDALDH1A1GAAKDM4EKDM5C |
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-3976580-A1 | PRECURSOR COMPOUNDS OF ESTER COMPOUNDS | University of Guelph (CA) | 2022-04-06 | — | — | EP | disclosed |