Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 3/20 | 0.35 |
| ▸ | DAO | P14920 | 3/20 | 0.34 |
| ▸ | DDO | Q99489 | 2/20 | 0.34 |
| ▸ | SRC | P12931 | 2/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | PRKACA | P17612 | 1/20 | 0.33 |
| ▸ | PRKACG | P22612 | 1/20 | 0.33 |
| ▸ | PRKACB | P22694 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL4279370 | 0.81 | CYP2A6 (0.40) | CYP2A6ERN1TDO2FEN1MEN1 | |
| SCHEMBL5777310 | 0.79 | CYP2A6 (0.38) | CYP2A6TDO2 | |
| SCHEMBL29957902 | 0.75 | ALDH1A1 (0.36) | CYP2A6MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL30175963 | 0.73 | CYP2A6 (0.52) | CYP2A6ERN1DAODDOMEN1 | |
| SCHEMBL25651019 | 0.73 | CYP2A6 (0.52) | CYP2A6ERN1DAODDOMEN1 | |
| SCHEMBL10084632 | 0.70 | CYP2A6 (0.40) | CYP2A6 | |
| SCHEMBL19718127 | 0.69 | ERN1 (0.46) | ERN1KDM4E | |
| SCHEMBL29955078 | 0.67 | CYP2A6 (0.58) | CYP2A6DAODDOKDM4EALDH1A1 | |
| SCHEMBL1335177 | 0.67 | CYP2A6 (0.58) | CYP2A6DAOKDM4EALDH1A1 | |
| SCHEMBL2548885 | 0.67 | CYP2A6 (0.58) | CYP2A6DAODDOKDM4EALDH1A1 |
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 |