Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.58 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 2/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 5/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28934728 | 0.77 | CYP2A6 (0.66) | CYP2A6CHRNB2CHRNA4CYP11B2KDM1A | |
| SCHEMBL1781688 | 0.77 | MAOB (0.48) | CYP2A6KDM1A | |
| SCHEMBL1722128 | 0.77 | MAOB (0.48) | CYP2A6KDM1A | |
| SCHEMBL29954166 | 0.77 | MAOB (0.48) | CYP2A6KDM1A | |
| SCHEMBL29950949 | 0.74 | KDM1A (0.36) | CHRNB2CHRNA4KDM1A | |
| SCHEMBL14708962 | 0.73 | CYP2A6 (1.00) | CYP2A6CHRNB2CHRNA4CYP11B2KDM1A | |
| SCHEMBL19121445 | 0.73 | CYP2A6 (0.66) | CYP2A6CHRNB2CHRNA4CYP11B2KDM1A | |
| SCHEMBL16019161 | 0.73 | CYP2A6 (1.00) | CYP2A6CHRNB2CHRNA4CYP11B2KDM1A | |
| SCHEMBL21840984 | 0.73 | CYP2A6 (1.00) | CYP2A6CHRNB2CHRNA4CYP11B2KDM1A | |
| SCHEMBL2691215 | 0.73 | CYP2A6 (1.00) | CYP2A6CHRNB2CHRNA4CYP11B2KDM1A |
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 |