Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | P4HB | P07237 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | NQO2 | P16083 | 2/20 | 0.34 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.34 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.34 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | BAD | Q92934 | 1/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1224244 | 1.00 | AOC3 (0.39) | AOC3HTTP4HBPTGS2CYP3A4 | |
| SCHEMBL4650796 | 0.91 | NPC1 (0.36) | AOC3P4HBNQO2TP53ABCG2 | |
| SCHEMBL2032971 | 0.85 | P4HB (0.36) | HTTP4HBACACBALDH1A1 | |
| SCHEMBL17397874 | 0.75 | ALDH1A1 (0.41) | AOC3PTGS2CYP3A4NQO2TXNRD1 | |
| SCHEMBL19492639 | 0.75 | NQO2 (0.47) | AOC3HTTPTGS2CYP3A4NQO2 | |
| SCHEMBL25981475 | 0.75 | AOC3 (0.54) | AOC3HTTP4HBPTGS2CYP3A4 | |
| SCHEMBL21979683 | 0.74 | AOC3 (0.36) | AOC3HTTP4HBPTGS2CYP3A4 | |
| SCHEMBL8798169 | 0.74 | AOC3 (0.41) | AOC3HTTP4HBPTGS2CYP3A4 | |
| SCHEMBL29670249 | 0.73 | ABCG2 (0.44) | ABCG2ALDH1A1 | |
| SCHEMBL4650783 | 0.73 | — | — |
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 |