Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.35 |
| ▸ | SMPD3 | Q9NY59 | 6/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.31 |
| ▸ | GALR2 | O43603 | 1/20 | 0.31 |
| ▸ | GALR1 | P47211 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16966439 | 0.93 | AURKA (0.38) | AURKAPDPK1AURKBADORA2AADORA1 | |
| SCHEMBL12119841 | 0.90 | AURKA (0.47) | AURKAPDPK1AURKB | |
| SCHEMBL16966433 | 0.90 | AURKA (0.45) | AURKAPDPK1AURKBADORA2AADORA1 | |
| SCHEMBL1318715 | 0.84 | AURKA (0.43) | AURKAPDPK1AURKBADORA2AADORA1 | |
| SCHEMBL16966468 | 0.84 | AURKA (0.41) | AURKAPDPK1AURKBKDM1A | |
| SCHEMBL12119836 | 0.83 | AURKA (0.51) | AURKAPDPK1AURKB | |
| SCHEMBL16966454 | 0.81 | PDPK1 (0.47) | AURKAPDPK1AURKB | |
| SCHEMBL12119825 | 0.80 | AURKA (0.58) | AURKAPDPK1AURKB | |
| SCHEMBL3132798 | 0.79 | PDPK1 (0.52) | AURKAPDPK1AURKB | |
| SCHEMBL3131514 | 0.79 | CCNC (0.40) | AURKAPDPK1AURKBKDM1A |
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 |