Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.42 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.41 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.41 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 10/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 2/20 | 0.37 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2803611 | 0.84 | PDE5A (0.40) | ADORA3ADORA2BADORA2AADORA1PDE5A | |
| SCHEMBL2803607 | 0.84 | PDE5A (0.40) | ADORA3ADORA2BADORA2AADORA1PDE5A | |
| SCHEMBL2806792 | 0.81 | PDE5A (0.38) | ADORA3ADORA2BADORA2AADORA1PDE5A | |
| SCHEMBL2806796 | 0.81 | PDE5A (0.38) | ADORA3ADORA2BADORA2AADORA1PDE5A | |
| SCHEMBL2803161 | 0.74 | PDE5A (0.47) | ADORA3ADORA2BADORA2AADORA1PDE5A | |
| SCHEMBL13088248 | 0.73 | PDE5A (0.47) | ADORA3ADORA2BADORA2AADORA1PDE5A | |
| SCHEMBL13283796 | 0.73 | PDE5A (0.42) | ADORA3ADORA2BADORA2AADORA1PDE5A | |
| SCHEMBL13283882 | 0.72 | CDK2 (0.49) | ADORA3ADORA2BADORA2AADORA1PDE5A | |
| SCHEMBL3702715 | 0.71 | PDE5A (0.58) | ADORA2AADORA1PDE5AGBA1 | |
| SCHEMBL3702712 | 0.71 | PDE5A (0.58) | ADORA2AADORA1PDE5AGBA1 |
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 |