Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 3/20 | 0.43 |
| ▸ | AR | P10275 | 3/20 | 0.42 |
| ▸ | PGR | P06401 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.38 |
| ▸ | IL4 | P05112 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27963762 | 0.88 | APP (0.44) | APPARPGRMAOAKDM1A | |
| Cyanide SCHEMBL28038481 | 0.82 | — | — | |
| Boric Acid SCHEMBL29171600 | 0.77 | APP (0.48) | APPALOX5HSD17B1HSD17B2BACE1 | |
| Methylamine SCHEMBL28044974 | 0.77 | — | — | |
| SCHEMBL29171599 | 0.77 | APP (0.48) | APPALOX5HSD17B1HSD17B2BACE1 | |
| Formic Acid SCHEMBL27598190 | 0.73 | APP (0.44) | APPALOX5HSD17B1HSD17B2BACE1 | |
| SCHEMBL5098823 | 0.72 | KDM1A (0.51) | ARPGRMAOAKDM1AGABRA5 | |
| Acetic Acid SCHEMBL1662353 | 0.71 | RARA (0.47) | APPALOX5HSD17B1HSD17B2BACE1 | |
| Ethylamine SCHEMBL11810037 | 0.71 | ALOX5 (0.50) | APPARALOX5HSD17B1HSD17B2 | |
| Acetaldehyde SCHEMBL18815520 | 0.71 | CNR2 (0.43) | APPALOX5HSD17B1HSD17B2BACE1 |
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-101970420-B | Oxadiazole derivatives | MERCK SERONO SA | 2014-09-24 | — | — | CN | disclosed |