Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 3/20 | 0.47 |
| ▸ | GBA1 | P04062 | 3/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | PGK1 | P00558 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | REN | P00797 | 1/20 | 0.35 |
| ▸ | MYC | P01106 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3807793 | 0.88 | PDE5A (0.52) | PDE5AGBA1KDM1APGK1ADORA3 | |
| SCHEMBL3706663 | 0.87 | CCNE2 (0.48) | PDE5AGBA1KDM1AADORA3ADORA2A | |
| SCHEMBL30772425 | 0.87 | PDE5A (0.41) | PDE5AGBA1KDM1AADORA3ADORA2A | |
| SCHEMBL2803755 | 0.87 | PDE5A (0.41) | PDE5AGBA1KDM1AADORA3ADORA2A | |
| SCHEMBL3708230 | 0.85 | PDE5A (0.61) | PDE5AGBA1KDM1AADORA2AADORA1 | |
| SCHEMBL3782097 | 0.81 | GBA1 (0.47) | PDE5AGBA1ADORA3ADORA2AADORA1 | |
| SCHEMBL3782101 | 0.81 | GBA1 (0.47) | PDE5AGBA1ADORA3ADORA2AADORA1 | |
| SCHEMBL3809901 | 0.76 | PDE5A (0.49) | PDE5AGBA1KDM1AADORA3ADORA2A | |
| SCHEMBL13283779 | 0.73 | PDE5A (0.45) | PDE5AGBA1KDM1AADORA3ADORA2A | |
| SCHEMBL13283901 | 0.73 | CDK2 (0.52) | PDE5AGBA1KDM1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010081881-A1 | AURORA KINASE INHIBITORS COMPOUNDS. | UNIVERSITÄT LEIPZIG (DE) | 2010-07-22 | — | — | WO | claimed |
| 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 |