Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 2/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | PI4KA | P42356 | 1/20 | 0.38 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.38 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.38 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2849211 | 0.84 | PDE4A (0.38) | KDM4EPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL1012169 | 0.82 | PDE4A (0.39) | KDM4EPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL2269491 | 0.82 | ADORA1 (0.50) | KDM4EPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9689985 | 0.82 | HTR6 (0.39) | NOS1LMNAMAPT | |
| SCHEMBL9689972 | 0.82 | HTR6 (0.41) | PDE4APDE4BPDE4CPDE4DNOS1 | |
| SCHEMBL5062073 | 0.78 | PDE4A (0.42) | KDM4EPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6654449 | 0.77 | PDE3B (0.43) | PARP1MAPK1PI4KAPI4K2BPI4K2A | |
| SCHEMBL6654447 | 0.77 | CACNA1H (0.42) | KDM4EPARP1MAPK1NOS1NOS2 | |
| SCHEMBL8328517 | 0.75 | PKM (0.41) | KDM4EPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL1554148 | 0.73 | PDE4A (0.44) | KDM4EPDE4APDE4BPDE4CPDE4D |
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-2152670-A1 | BRIDGED SIX-MEMBERED RING COMPOUNDS | Actelion Pharmaceuticals Ltd. (CH) | 2010-02-17 | — | — | EP | disclosed |
| WO-2008132679-A1 | BRIDGED SIX-MEMBERED RING COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2008-11-06 | — | — | WO | disclosed |