Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | ACP1 | P24666 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | GPR3 | P46089 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.38 |
| ▸ | AXL | P30530 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL862361 | 0.77 | PDE3B (0.49) | BACE1CYP1A2ALDH1A1GPR3OPRM1 | |
| SCHEMBL2123316 | 0.75 | ALDH1A1 (0.43) | CYP1A2ALDH1A1L3MBTL1ESR1NR1H2 | |
| SCHEMBL3922857 | 0.75 | AR (0.52) | BACE1ARCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL28042222 | 0.73 | ALDH1A1 (0.56) | BACE1CYP1A2ALDH1A1GPR3OPRM1 | |
| SCHEMBL7516105 | 0.73 | ALDH1A1 (0.48) | BACE1CYP1A2ALDH1A1L3MBTL1GPR3 | |
| SCHEMBL24916325 | 0.73 | BACE1 (0.47) | BACE1CYP1A2ALDH1A1GPR3OPRM1 | |
| SCHEMBL29923623 | 0.73 | BACE1 (0.47) | BACE1CYP1A2ALDH1A1GPR3OPRM1 | |
| SCHEMBL19700637 | 0.73 | GPR3 (0.44) | BACE1CYP1A2CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL19117639 | 0.71 | BACE1 (0.64) | BACE1CYP1A2CYP2D6CYP2C19RECQL | |
| SCHEMBL24915591 | 0.70 | DHFR (0.48) | BACE1CYP1A2ALDH1A1GPR3OPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110678469-B | Substituted pyrimidinium compounds and derivatives for combating animal pests | 巴斯夫欧洲公司 | 2023-03-03 | — | — | CN | disclosed |