Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1A | P07327 | 10/20 | 0.38 |
| ▸ | ADH1C | P00326 | 7/20 | 0.38 |
| ▸ | ADH4 | P08319 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | ADH1B | P00325 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29951894 | 0.91 | ADH1C (0.31) | ADH1AADH1CADH4 | |
| SCHEMBL6039335 | 0.83 | ADH1A (0.41) | ADH1AADH1CADH4ADH1BCYP2D6 | |
| SCHEMBL522366 | 0.82 | LTA4H (0.37) | ADH1AADH1CLTA4HCYP1A2CYP2D6 | |
| SCHEMBL6878725 | 0.82 | ALDH1A1 (0.40) | LTA4HALDH1A1 | |
| SCHEMBL10716961 | 0.80 | ALDH1A1 (0.42) | ADH1ALTA4HCYP2D6ALDH1A1 | |
| SCHEMBL18841480 | 0.80 | ADH1A (0.48) | ADH1AADH1CADH4ADH1BCYP2D6 | |
| SCHEMBL79285 | 0.80 | LTA4H (0.39) | ADH1AADH1CLTA4HCYP1A2CYP2D6 | |
| SCHEMBL6567107 | 0.80 | LTA4H (0.39) | ADH1AADH1CLTA4HCYP1A2CYP2D6 | |
| SCHEMBL3429371 | 0.79 | OPRM1 (0.35) | LTA4HCYP1A2CYP2D6 | |
| SCHEMBL27493444 | 0.78 | LTA4H (0.34) | LTA4HCYP1A2CYP2D6ALDH1A1 |
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 |