Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.56 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.56 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.56 |
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | PTPRC | P08575 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 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 | |
|---|---|---|---|---|
| SCHEMBL5247056 | 1.00 | CYP2A6 (0.56) | CYP2A6CYP2B6CYP2E1CNR1PRMT6 | |
| SCHEMBL4350314 | 0.84 | CYP2A6 (0.68) | CYP2A6CYP2B6CYP2E1CNR1PRMT6 | |
| SCHEMBL3997707 | 0.79 | — | — | |
| SCHEMBL817554 | 0.79 | ALOX5 (0.65) | ALOX5TAAR1ESR2MAOBPGR | |
| SCHEMBL31222672 | 0.79 | ALOX5 (0.65) | ALOX5TAAR1ESR2MAOBPGR | |
| SCHEMBL28164029 | 0.78 | CYP2A6 (0.82) | CYP2A6CYP2B6CYP2E1CNR1PRMT6 | |
| Hydrochloric Acid SCHEMBL31070804 | 0.77 | ALOX5 (0.62) | ALOX5TAAR1ESR2MAOB | |
| SCHEMBL29629014 | 0.77 | ALOX5 (0.62) | ALOX5TAAR1ESR2MAOBPGR | |
| Hydrochloric Acid SCHEMBL28332867 | 0.77 | ALOX5 (0.62) | ALOX5TAAR1ESR2MAOB | |
| SCHEMBL2303438 | 0.76 | CA2 (0.63) | MAOB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111646964-B | Novel method for synthesizing 2H-pyran-2-one derivative by base catalysis | 四川大学 | 2023-03-31 | — | — | CN | disclosed |
| CN-113264816-B | Spiro [ cyclopropane-1, 2' -indene ] -1',3' -diketone derivative and synthetic method thereof | 湖北科技学院 | 2023-03-24 | — | — | CN | disclosed |