Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 5/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.38 |
| ▸ | WNT3A | P56704 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | EPM2A | O95278 | 1/20 | 0.36 |
| ▸ | PTPRC | P08575 | 1/20 | 0.36 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.36 |
| ▸ | CDC14A | Q9UNH5 | 1/20 | 0.36 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL826762 | 0.84 | CYP2A6 (0.50) | CYP2A6CNR1HTR1BIDO1SLC6A4 | |
| Ethoxycarbonyl Group SCHEMBL28441815 | 0.78 | CYP2A6 (0.45) | CYP2A6CNR1HTR1BIDO1SLC6A4 | |
| SCHEMBL29952165 | 0.72 | CYP2A6 (0.56) | CYP2A6HTR1BCTNNB1WNT3ADYRK1A | |
| SCHEMBL6186816 | 0.72 | CYP2A6 (0.56) | CYP2A6HTR1BCTNNB1WNT3ADYRK1A | |
| SCHEMBL29956802 | 0.68 | CYP2A6 (0.51) | CYP2A6HTR1BCTNNB1WNT3ADYRK1A | |
| SCHEMBL826716 | 0.68 | CYP2A6 (0.44) | CYP2A6CNR1HTR1BKDM4E | |
| SCHEMBL719619 | 0.67 | CYP2A6 (1.00) | CYP2A6HTR1BCTNNB1WNT3ADYRK1A | |
| SCHEMBL1602884 | 0.67 | HTR1B (0.53) | CYP2A6HTR1BIDO1SLC6A4CTNNB1 | |
| Acetaldehyde SCHEMBL4860532 | 0.67 | CYP2A6 (0.55) | CYP2A6HTR1BIDO1CTNNB1WNT3A | |
| SCHEMBL16449171 | 0.66 | CTNNB1 (0.61) | CYP2A6HTR1BIDO1CTNNB1WNT3A |
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-1068568-A | Benzofuran derivative and pharmaceutical composition thereof | NIPPON SHINYAKU CO LTD (JP) | 1993-02-03 | — | — | CN | disclosed |