Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.50 |
| ▸ | ELANE | P08246 | 1/20 | 0.47 |
| ▸ | CD69 | Q07108 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | ING2 | Q9H160 | 1/20 | 0.41 |
| ▸ | TLR4 | O00206 | 3/20 | 0.40 |
| ▸ | CD14 | P08571 | 3/20 | 0.40 |
| ▸ | LY96 | Q9Y6Y9 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | DUSP5 | Q16690 | 1/20 | 0.39 |
| ▸ | DUSP6 | Q16828 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29517201 | 1.00 | GABRA1 (0.50) | GABRA1GABRB2ELANECD69CYP2C19 | |
| SCHEMBL2471228 | 1.00 | GABRA1 (0.50) | GABRA1GABRB2ELANECD69CYP2C19 | |
| SCHEMBL9910710 | 1.00 | GABRA1 (0.50) | GABRA1GABRB2ELANECD69CYP2C19 | |
| SCHEMBL13620669 | 1.00 | GABRA1 (0.50) | GABRA1GABRB2ELANECD69CYP2C19 | |
| SCHEMBL29945572 | 1.00 | GABRA1 (0.50) | GABRA1GABRB2ELANECD69CYP2C19 | |
| Carbon Dioxide SCHEMBL30318039 | 0.91 | CD69 (0.46) | GABRA1GABRB2ELANECD69CYP2C19 | |
| SCHEMBL12201108 | 0.91 | GABRA1 (0.43) | GABRA1GABRB2ELANECD69CYP2C19 | |
| SCHEMBL17770826 | 0.91 | SMN1; SMN2 (0.45) | GABRA1GABRB2ELANECD69CYP2C19 | |
| SCHEMBL22911514 | 0.88 | ELANE (0.40) | GABRA1GABRB2ELANECD69CYP2C19 | |
| SCHEMBL12228964 | 0.84 | CD69 (0.38) | GABRA1GABRB2ELANECD69CYP2C19 |
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-116496509-B | Magnetic calixarene polymer and preparation method and application thereof | 北京建工环境修复股份有限公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-116496509-A | Magnetic calixarene polymer and preparation method and application thereof | 北京建工环境修复股份有限公司 | 2023-07-28 | — | — | CN | disclosed |