Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | PDE4A | P27815 | 3/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.36 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | POLA1 | P09884 | 2/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | PDE1A | P54750 | 1/20 | 0.33 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13222737 | 0.83 | ALOX15 (0.38) | ALOX15CASP1GAALMNATSHR | |
| SCHEMBL721997 | 0.78 | ALOX15 (0.41) | ALOX15PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL13222774 | 0.75 | BCHE (0.51) | PDE4APDE4BPDE4CPDE4DLMNA | |
| SCHEMBL12170294 | 0.75 | LMNA (0.47) | ALOX15PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL1465608 | 0.75 | TLR7 (0.49) | PDE4DLMNA | |
| SCHEMBL1465313 | 0.74 | LMNA (0.46) | ALOX15CASP1LMNATSHR | |
| SCHEMBL10282955 | 0.71 | LMNA (0.44) | ALOX15PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL2908313 | 0.68 | PDE4A (0.50) | PDE4APDE4BPDE4CPDE4DGAA | |
| SCHEMBL1742531 | 0.68 | PDE4A (0.50) | ALOX15PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL487944 | 0.68 | HSD17B10 (0.62) | PDE4APDE4BPDE4CPDE4D |
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 |
|---|---|---|---|---|---|---|---|
| US-7776905-B2 | including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-08-17 | — | — | US | disclosed |