Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5AP | P20292 | 2/20 | 0.39 |
| ▸ | FEN1 | P39748 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | ATR | Q13535 | 2/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.37 |
| ▸ | PRKDC | P78527 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16824820 | 0.87 | HDAC1 (0.41) | ALOX5APFEN1HDAC1HDAC6HDAC5 | |
| SCHEMBL16821744 | 0.81 | ALOX5AP (0.39) | ALOX5APFEN1HDAC1HDAC6HDAC5 | |
| SCHEMBL16824800 | 0.76 | PDE4A (0.48) | ALOX5APFEN1DHODHPDE4APDE4B | |
| SCHEMBL16821763 | 0.72 | CTSA (0.34) | HDAC1HDAC6HDAC5POLB | |
| SCHEMBL16821883 | 0.70 | HDAC1 (0.35) | HDAC1HDAC6HDAC5NR1H4 | |
| SCHEMBL16821783 | 0.69 | NPSR1 (0.34) | HDAC1HDAC6HDAC5NR1H4 | |
| SCHEMBL16821789 | 0.68 | HDAC1 (0.42) | ALOX5APFEN1HDAC1HDAC6HDAC5 | |
| Trifluoroacetic Acid SCHEMBL29988318 | 0.68 | ATF4 (0.43) | NR1H4 | |
| SCHEMBL3939207 | 0.68 | PTGS2 (0.44) | ALOX5APFEN1DHODHPDE4APDE4B | |
| SCHEMBL16821811 | 0.66 | NPSR1 (0.36) | HDAC1HDAC6HDAC5GRM2NR1H4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3092234-A1 | FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS | Gilead Sciences, Inc. (US) | 2016-11-16 | — | — | EP | disclosed |
| WO-2015094670-A1 | FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS | GILEAD SCIENCES, INC. (US) | 2015-06-25 | — | — | WO | disclosed |