Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CLK1 | P49759 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 8/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 7/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 7/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 5/20 | 0.42 |
| ▸ | RAF1 | P04049 | 6/20 | 0.41 |
| ▸ | BRAF | P15056 | 6/20 | 0.41 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.41 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | CLK2 | P49760 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1884162 | 0.94 | PIK3CA (0.46) | NPC1ALDH1A1TSHRCLK1RAB9A | |
| SCHEMBL1891436 | 0.89 | PIK3CA (0.47) | NPC1ALDH1A1TSHRCLK1RAB9A | |
| SCHEMBL1888686 | 0.81 | PIK3CG (0.60) | NPC1ALDH1A1TSHRCLK1RAB9A | |
| SCHEMBL5048755 | 0.75 | NPC1 (0.51) | NPC1ALDH1A1TSHRCLK1RAB9A | |
| SCHEMBL12991910 | 0.72 | PIK3CG (0.50) | NPC1ALDH1A1RAB9APIK3CAPIK3CG | |
| SCHEMBL1889933 | 0.71 | CDK2 (0.43) | ADORA2AADORA1 | |
| SCHEMBL12991926 | 0.70 | NPC1 (0.53) | NPC1ALDH1A1TSHRCLK1RAB9A | |
| SCHEMBL8236670 | 0.70 | PIK3CA (0.54) | NPC1CLK1RAB9APIK3CAPIK3CD | |
| SCHEMBL1885306 | 0.70 | KARS1 (0.48) | RAF1BRAFADORA2AADORA1 | |
| SCHEMBL28407628 | 0.69 | ADORA2A (0.62) | ADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1622897-B1 | INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | NOVARTIS AG (CH) | 2009-10-14 | — | — | EP | disclosed |