Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23462029 | 1.00 | ALDH1A1 (0.44) | ALDH1A1CYP3A4HDAC4HDAC7HDAC5 | |
| SCHEMBL29684231 | 0.86 | ALDH1A1 (0.49) | ALDH1A1CYP3A4HDAC4HDAC7HDAC5 | |
| SCHEMBL23043993 | 0.86 | ALDH1A1 (0.49) | ALDH1A1CYP3A4HDAC4HDAC7HDAC5 | |
| SCHEMBL23044216 | 0.83 | CES2 (0.38) | ALDH1A1CYP3A4CES2CES1HSD17B10 | |
| SCHEMBL8867742 | 0.83 | ALDH1A1 (0.45) | ALDH1A1CYP3A4HDAC7HSD17B10 | |
| SCHEMBL5362478 | 0.80 | ALDH1A1 (0.45) | ALDH1A1CYP3A4HDAC4HDAC7HDAC5 | |
| SCHEMBL14575920 | 0.80 | ALDH1A1 (0.45) | ALDH1A1CYP3A4HDAC4HDAC7HDAC5 | |
| SCHEMBL1461693 | 0.80 | ALDH1A1 (0.66) | ALDH1A1CYP3A4KDM4EHSD17B10 | |
| SCHEMBL1461694 | 0.80 | ALDH1A1 (0.66) | ALDH1A1CYP3A4KDM4EHSD17B10 | |
| SCHEMBL1462200 | 0.80 | ALDH1A1 (0.66) | ALDH1A1CYP3A4KDM4EHSD17B10 |
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-4069216-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS | Flatley Discovery Lab, LLC (US) | 2022-10-12 | — | — | EP | disclosed |