Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 2/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL20853126 | 1.00 | CYP2A6 (0.41) | CYP2A6DAOERN1AR | |
| SCHEMBL26671161 | 0.82 | CYP2A6 (0.43) | CYP2A6DAO | |
| SCHEMBL29955876 | 0.79 | MAPT (0.46) | CYP2A6DAO | |
| SCHEMBL20853236 | 0.79 | TNF (0.44) | CYP2A6DAOAR | |
| SCHEMBL4282939 | 0.75 | DAO (0.53) | CYP2A6DAOERN1AR | |
| SCHEMBL22052047 | 0.74 | HRH4 (0.43) | CYP2A6ERN1 | |
| SCHEMBL2770272 | 0.72 | CYP2A6 (0.42) | CYP2A6DAOERN1 | |
| SCHEMBL4268467 | 0.72 | CYP2A6 (0.38) | CYP2A6DAOERN1 | |
| SCHEMBL5366835 | 0.71 | DAO (0.53) | CYP2A6DAO | |
| SCHEMBL3599395 | 0.71 | EIF4A3 (0.57) | DAO |
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 |