Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 2/20 | 0.46 |
| ▸ | ERN1 | O75460 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.35 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1299499 | 1.00 | MCL1 (0.46) | MCL1ERN1ALDH1A1XDHHSD17B3 | |
| SCHEMBL574999 | 0.84 | ALDH1A1 (0.52) | ERN1ALDH1A1XDHTTRCYP3A4 | |
| SCHEMBL1922945 | 0.84 | ERN1 (0.52) | ERN1ALDH1A1XDH | |
| SCHEMBL29459647 | 0.83 | XDH (0.50) | ERN1ALDH1A1XDHTTRCYP3A4 | |
| SCHEMBL565112 | 0.83 | XDH (0.50) | ERN1ALDH1A1XDHTTRCYP3A4 | |
| SCHEMBL31454771 | 0.80 | ALDH1A1 (0.48) | ALDH1A1CYP3A4HSD17B10ALDH3A1ALDH1A3 | |
| SCHEMBL30822600 | 0.80 | XDH (0.52) | ERN1ALDH1A1XDH | |
| SCHEMBL1056033 | 0.80 | XDH (0.52) | ERN1ALDH1A1XDH | |
| SCHEMBL16149314 | 0.80 | ALDH1A1 (0.48) | ALDH1A1CYP3A4HSD17B10ALDH3A1ALDH1A3 | |
| SCHEMBL19655045 | 0.79 | MCL1 (0.42) | MCL1ERN1ALDH1A1HSD17B3TTR |
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 |