Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 3/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.30 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.30 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.30 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.30 |
| ▸ | PI4KA | P42356 | 1/20 | 0.30 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.30 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14242833 | 0.79 | NOS3 (0.53) | NOS3NOS1NOS2NR1H2NR1H3 | |
| SCHEMBL14706959 | 0.77 | PTGS2 (0.37) | PTGS2NR1H2NR1H3PIK3CDPIP5K1C | |
| SCHEMBL18594441 | 0.76 | NOS3 (0.40) | NOS3NOS1NOS2DHFRPIK3CD | |
| SCHEMBL16909250 | 0.74 | NOS3 (0.39) | NOS3NOS1NOS2DHFRPIK3C3 | |
| SCHEMBL16909317 | 0.74 | NOS3 (0.32) | NOS3NOS1NOS2NR1H2NR1H3 | |
| SCHEMBL24595030 | 0.74 | NOS3 (0.41) | NOS3NOS1NOS2DHFR | |
| SCHEMBL26453049 | 0.71 | NOS3 (0.38) | NOS3NOS1NOS2 | |
| SCHEMBL31035889 | 0.71 | NOS3 (0.62) | NOS3NOS1NOS2DHFR | |
| SCHEMBL16909314 | 0.69 | HTT (0.39) | — | |
| SCHEMBL12749936 | 0.68 | NOS3 (0.36) | NOS3NOS1NOS2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012170867-A1 | NOVEL COMPOUNDS AS MODULATORS OF GPR-119 | RHIZEN PHARMACEUTICALS SA (CH) | 2012-12-13 | — | — | WO | disclosed |