Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | NOS2 | P35228 | 5/20 | 0.38 |
| ▸ | NOS1 | P29475 | 4/20 | 0.38 |
| ▸ | NOS3 | P29474 | 3/20 | 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 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL9406926 | 0.78 | ADORA1 (0.43) | KDM4EADORA3ADORA2AADORA1NOS2 | |
| SCHEMBL7378689 | 0.76 | NOS2 (0.59) | ADORA3ADORA2AADORA1NOS2NOS1 | |
| SCHEMBL3964555 | 0.75 | ADORA1 (0.43) | KDM4EADORA3ADORA2AADORA1NOS2 | |
| SCHEMBL9406899 | 0.72 | ADORA1 (0.42) | KDM4EADORA3ADORA2AADORA1NOS2 | |
| SCHEMBL1892570 | 0.70 | KDM4E (0.52) | KDM4EADORA3NOS2NOS1GAA | |
| SCHEMBL8561715 | 0.69 | ADORA1 (0.41) | ADORA3ADORA2AADORA1NOS2NOS1 | |
| SCHEMBL9041424 | 0.68 | NOS1 (0.56) | ADORA1NOS2NOS1NOS3PI4KA | |
| SCHEMBL9648738 | 0.67 | PI4KA (0.57) | ADORA1NOS2NOS1NOS3PI4KA | |
| SCHEMBL3507346 | 0.66 | ALDH1A1 (0.44) | KDM4ENOS2NOS1NOS3CYP3A4 | |
| SCHEMBL9406720 | 0.66 | PI4KA (0.56) | NOS2NOS1NOS3PI4KAPI4K2B |
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-2185557-A2 | PERHARIDINES AS CDK INHIBITORS | Centre National De La Recherche Scientifique (FR) | 2010-05-19 | — | — | EP | disclosed |
| WO-2009034475-A2 | PERHARIDINES AS CDK INHIBITORS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2009-03-19 | — | — | WO | disclosed |