Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29440748 | 0.76 | CES2 (0.43) | ERN1CES2CES1 | |
| SCHEMBL1513608 | 0.76 | CES2 (0.43) | ERN1CES2CES1 | |
| SCHEMBL31112117 | 0.74 | ERN1 (0.48) | ERN1CES2CES1 | |
| SCHEMBL3234924 | 0.74 | ERN1 (0.48) | ERN1CES2CES1 | |
| SCHEMBL2557587 | 0.74 | ALDH1A1 (0.31) | ALDH1A1CES2CES1 | |
| SCHEMBL29460057 | 0.74 | ALDH1A1 (0.31) | ALDH1A1CES2CES1 | |
| SCHEMBL113484 | 0.74 | ALDH1A1 (0.48) | ALDH1A1ERN1HDAC1HDAC6CES2 | |
| SCHEMBL29604579 | 0.73 | ERN1 (0.33) | ERN1CES2CES1 | |
| SCHEMBL22616766 | 0.73 | ERN1 (0.33) | ERN1CES2CES1 | |
| SCHEMBL28824845 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |