Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | KDM5C | P41229 | 1/20 | 0.40 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.40 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | FAAH | O00519 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL28214729 | 0.78 | CTSD (0.64) | CTSDGAAALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL28219205 | 0.78 | ALDH1A1 (0.62) | CTSDGAAALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL49856 | 0.78 | ALDH1A1 (0.62) | CTSDGAAALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL402128 | 0.76 | — | — | |
| Urethane SCHEMBL21877936 | 0.76 | ALOX15 (0.60) | CTSDGAAALDH1A1CYP1A2CYP3A4 | |
| Ethyl Acetate SCHEMBL22719918 | 0.76 | ALDH1A1 (0.56) | CTSDGAAALDH1A1CYP1A2CYP3A4 | |
| Acetone SCHEMBL22554792 | 0.75 | CTSD (0.59) | CTSDGAAALDH1A1CYP1A2CYP3A4 | |
| Acetone SCHEMBL6392906 | 0.75 | CTSD (0.59) | CTSDGAAALDH1A1CYP1A2CYP3A4 | |
| Water SCHEMBL4942958 | 0.75 | ALDH1A1 (0.60) | CTSDGAAALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL219713 | 0.75 | ALDH1A1 (0.67) | CTSDGAAALDH1A1CYP1A2CYP3A4 |
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-3976580-A1 | PRECURSOR COMPOUNDS OF ESTER COMPOUNDS | University of Guelph (CA) | 2022-04-06 | — | — | EP | disclosed |
| WO-2020237378-A1 | PRECURSOR COMPOUNDS OF ESTER COMPOUNDS | UNIVERSITY OF GUELPH (CA) | 2020-12-03 | — | — | WO | disclosed |