Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 3/20 | 0.48 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.48 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | KHK | P50053 | 7/20 | 0.34 |
| ▸ | FASN | P49327 | 1/20 | 0.33 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16966473 | 0.89 | AURKA (0.52) | AURKAPDPK1AURKBHRH3HRH4 | |
| SCHEMBL1317905 | 0.89 | AURKA (0.45) | AURKAPDPK1AURKBHRH3HRH4 | |
| SCHEMBL12119858 | 0.88 | AURKA (0.53) | AURKAPDPK1AURKBHRH3HRH4 | |
| SCHEMBL16966454 | 0.83 | PDPK1 (0.47) | AURKAPDPK1AURKBHRH3HRH4 | |
| SCHEMBL16966493 | 0.83 | PDPK1 (0.61) | AURKAPDPK1AURKB | |
| SCHEMBL1318421 | 0.82 | AURKA (0.41) | AURKAPDPK1AURKBHRH3HRH4 | |
| SCHEMBL1320700 | 0.81 | AURKA (0.40) | AURKAPDPK1AURKBHRH3HRH4 | |
| SCHEMBL16966435 | 0.81 | AURKA (0.38) | AURKAPDPK1AURKBHRH3HRH4 | |
| SCHEMBL1318843 | 0.78 | AURKA (0.48) | AURKAPDPK1AURKBHRH3HRH4 | |
| SCHEMBL1320697 | 0.78 | AURKA (0.39) | AURKAPDPK1AURKBHRH3HRH4 |
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-2362775-B1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2015-08-05 | — | — | EP | disclosed |