Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | CASP4 | P49662 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | CASP9 | P55211 | 1/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | CCKBR | P32239 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | MC3R | P41968 | 1/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | GHSR | Q92847 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20155176 | 0.84 | CASP1 (0.45) | CASP1CASP3CASP4CASP7CASP9 | |
| SCHEMBL4910527 | 0.66 | ALDH1A1 (0.67) | CASP3ALDH1A1HIF1APTPRCS100A4 | |
| SCHEMBL20155056 | 0.65 | — | — | |
| SCHEMBL20155486 | 0.64 | ACHE (0.41) | CASP1CASP3CASP4CASP7CASP9 | |
| SCHEMBL28484774 | 0.63 | CASP1 (0.63) | CASP1CASP3CASP4CASP7CASP9 | |
| SCHEMBL15550344 | 0.61 | ALDH1A1 (0.44) | CASP1CASP3CASP4CASP7CASP9 | |
| SCHEMBL14027231 | 0.61 | ALDH1A1 (0.55) | CASP3ALDH1A1HIF1APTPRCS100A4 | |
| SCHEMBL16791912 | 0.60 | ALDH1A1 (0.42) | CASP1CASP3CASP4CASP7CASP9 | |
| SCHEMBL1199420 | 0.60 | ALDH1A1 (0.56) | ALDH1A1HIF1AKMT2AMAPTL3MBTL1 | |
| SCHEMBL31118301 | 0.60 | ALDH1A1 (0.56) | CASP3ALDH1A1HIF1APTPRCS100A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |