Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 4/20 | 0.37 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.37 |
| ▸ | WNT3A | P56704 | 3/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL28120407 | 0.84 | CTNNB1 (0.47) | CYP2A6CA2CA12HTR1BCTNNB1 | |
| Ethoxycarbonyl Group SCHEMBL27907131 | 0.82 | CYP2A6 (0.45) | CYP2A6CA2CA12SLC6A4HTR1B | |
| Ethoxycarbonyl Group SCHEMBL27648948 | 0.82 | CYP2A6 (0.45) | CYP2A6CA2CA12HTR1BCTNNB1 | |
| SCHEMBL826762 | 0.79 | CYP2A6 (0.50) | CYP2A6SLC6A4CNR1HTR1BIDO1 | |
| SCHEMBL27363671 | 0.78 | CYP2A6 (0.50) | CYP2A6CA2SLC6A4CNR1HTR1B | |
| Benzofuran SCHEMBL28100443 | 0.78 | CYP2A6 (0.39) | CYP2A6CA2CA12HTR1BCTNNB1 | |
| Ethoxycarbonyl Group SCHEMBL27813205 | 0.78 | CYP2A6 (0.41) | CYP2A6CA2CA12ALDH1A1 | |
| 1,4-Dichlorobenzene SCHEMBL27842897 | 0.75 | HSD17B10 (0.42) | CYP2A6ALDH1A1 | |
| Ethoxycarbonyl Group SCHEMBL28820498 | 0.73 | CHRM2 (0.41) | CYP2A6CA2CA12HTR1B | |
| Ethoxycarbonyl Group SCHEMBL28007143 | 0.73 | CHRM2 (0.41) | CYP2A6CA12HTR1BALDH1A1 |
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-110078720-B | Halogenated benzofuran-coumarin derivative and application thereof in preparation of anti-fouling agent | 扬州工业职业技术学院 | 2020-07-17 | — | — | CN | claimed |
| CN-110078720-B | Halogenated benzofuran-coumarin derivative and application thereof in preparation of anti-fouling agent | 扬州工业职业技术学院 | 2020-07-17 | — | — | CN | disclosed |