Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 6/20 | 0.45 |
| ▸ | PDPK1 | O15530 | 6/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 6/20 | 0.45 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
| ▸ | SMPD3 | Q9NY59 | 3/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 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 | |
|---|---|---|---|---|
| SCHEMBL16966454 | 0.93 | PDPK1 (0.47) | AURKAPDPK1AURKBSCN2AHRH3 | |
| SCHEMBL12119825 | 0.90 | AURKA (0.58) | AURKAPDPK1AURKB | |
| SCHEMBL16966467 | 0.90 | AURKA (0.36) | AURKAPDPK1AURKBSMPD3ADORA2A | |
| SCHEMBL16966477 | 0.83 | AURKA (0.51) | AURKAPDPK1AURKBHRH3HRH4 | |
| SCHEMBL12119823 | 0.83 | AURKA (0.63) | AURKAPDPK1AURKB | |
| SCHEMBL1318421 | 0.83 | AURKA (0.41) | AURKAPDPK1AURKBSCN2AADORA2A | |
| SCHEMBL16966439 | 0.81 | AURKA (0.38) | AURKAPDPK1AURKBADORA2AADORA1 | |
| SCHEMBL3127259 | 0.80 | PDPK1 (0.62) | AURKAPDPK1AURKB | |
| SCHEMBL12119841 | 0.80 | AURKA (0.47) | AURKAPDPK1AURKB | |
| SCHEMBL16966435 | 0.78 | AURKA (0.38) | 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 |