Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 13/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 11/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3984484 | 0.93 | EPHX1 (0.48) | EPHX1ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| Bromide SCHEMBL27075782 | 0.91 | EPHX1 (0.47) | EPHX1ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| Ammonia Solution, Strong SCHEMBL28772841 | 0.91 | EPHX1 (0.47) | EPHX1ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL28993858 | 0.91 | EPHX1 (0.47) | EPHX1ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| Propylene Oxide SCHEMBL29210764 | 0.89 | SLC6A2 (0.41) | EPHX1ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL40488 | 0.87 | EPHX1 (0.57) | EPHX1ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28100468 | 0.86 | EPHX1 (0.43) | EPHX1ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8657970 | 0.86 | EPHX1 (0.60) | EPHX1ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4426423 | 0.86 | EPHX1 (0.60) | EPHX1ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8661751 | 0.86 | EPHX1 (0.60) | EPHX1ALDH1A1SLC6A2SLC6A4SLC6A3 |
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-117736354-A | High-water-solubility cationic cyclodextrin derivative and preparation method and application thereof | 南京盛德创赢生物科技有限公司 | 2024-03-22 | — | — | CN | claimed |
| CN-117736354-A | High-water-solubility cationic cyclodextrin derivative and preparation method and application thereof | 南京盛德创赢生物科技有限公司 | 2024-03-22 | — | — | CN | disclosed |