Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | MKNK1 | Q9BUB5 | 5/20 | 0.49 |
| ▸ | MKNK2 | Q9HBH9 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.46 |
| ▸ | AXL | P30530 | 1/20 | 0.46 |
| ▸ | ERN1 | O75460 | 2/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.45 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.45 |
| ▸ | KMO | O15229 | 1/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10028689 | 1.00 | CYP2A6 (0.56) | CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1 | |
| SCHEMBL29419989 | 0.87 | CYP2A6 (0.58) | CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1 | |
| SCHEMBL2479963 | 0.87 | CYP2A6 (0.58) | CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1 | |
| SCHEMBL1369665 | 0.85 | MGLL (0.60) | CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1 | |
| SCHEMBL1304481 | 0.85 | MGLL (0.59) | MKNK1MKNK2CYP11B1CYP19A1CYP11B2 | |
| SCHEMBL12129633 | 0.82 | MGLL (0.56) | CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1 | |
| SCHEMBL2700324 | 0.81 | CYP2A6 (0.60) | CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1 | |
| SCHEMBL29419983 | 0.81 | CYP2A6 (0.60) | CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1 | |
| SCHEMBL21808801 | 0.80 | CYP2A6 (0.79) | CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1 | |
| SCHEMBL30586094 | 0.80 | CYP2A6 (0.79) | CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1 |
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 |