Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.43 |
| ▸ | CSNK1A1 | P48729 | 3/20 | 0.43 |
| ▸ | CSNK1D | P48730 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CSNK1E | P49674 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.43 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL38652352 | 0.80 | PDE5A (0.60) | PDE5AADORA3ADORA2AMAPTKMT2A | |
| SCHEMBL7289021 | 0.80 | PDE5A (0.60) | PDE5AADORA3ADORA2AMAPTKMT2A | |
| SCHEMBL2803161 | 0.77 | PDE5A (0.47) | PDE5AADORA3ADORA2ACSNK1A1CSNK1D | |
| SCHEMBL4069704 | 0.71 | PARP1 (0.37) | LMNACYP1A2 | |
| SCHEMBL1069650 | 0.71 | HTT (0.41) | MAPTKMT2AKDM4ELMNAMEN1 | |
| SCHEMBL5220578 | 0.71 | CCNE2 (0.46) | ADORA3ADORA2APIK3CACSNK1A1CSNK1D | |
| SCHEMBL16183305 | 0.70 | GBA1 (0.49) | PDE5AMAPTKMT2AKDM4ELMNA | |
| SCHEMBL11831564 | 0.70 | POLB (0.52) | PDE5AADORA3ADORA2APIK3CAMAPT | |
| SCHEMBL2803518 | 0.69 | TUBB4A (0.49) | MAPTKMT2AKDM4ELMNAMAPK1 | |
| SCHEMBL1489493 | 0.69 | POLB (0.56) | PDE5AADORA3ADORA2APIK3CACSNK1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2241565-A1 | Aurora kinase inhibitors compounds | Universität Leipzig (DE) | 2010-10-20 | — | — | EP | disclosed |
| EP-2241565-A1 | Aurora kinase inhibitors compounds | Universität Leipzig (DE) | 2010-10-20 | — | — | EP | disclosed |
| WO-2010081881-A1 | AURORA KINASE INHIBITORS COMPOUNDS. | UNIVERSITÄT LEIPZIG (DE) | 2010-07-22 | — | — | WO | disclosed |
| WO-2010081881-A1 | AURORA KINASE INHIBITORS COMPOUNDS. | UNIVERSITÄT LEIPZIG (DE) | 2010-07-22 | — | — | WO | disclosed |