Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28876793 | 0.81 | NR1H2 (0.43) | ELANE | |
| SCHEMBL28592923 | 0.69 | CASP3 (0.42) | — | |
| SCHEMBL5824091 | 0.65 | GABRA1 (0.58) | GABRA1GABRB2ELANE | |
| SCHEMBL23145007 | 0.63 | CES1 (0.38) | — | |
| SCHEMBL29811809 | 0.63 | CES1 (0.38) | — | |
| SCHEMBL10775937 | 0.61 | GABRA1 (0.50) | GABRA1GABRB2ELANE | |
| SCHEMBL175397 | 0.61 | GABRA1 (0.50) | GABRA1GABRB2ELANE | |
| SCHEMBL38652483 | 0.61 | GABRA1 (0.50) | GABRA1GABRB2ELANE | |
| SCHEMBL28567926 | 0.61 | CHRM5 (0.51) | — | |
| SCHEMBL14262138 | 0.60 | GABRA1 (0.49) | GABRA1GABRB2ELANE |
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-110294702-A | A kind of fluorine-containing high allylamine derivatives of chiral alpha-and its preparation method and application | 武汉大学 | 2019-10-01 | — | — | CN | disclosed |