Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.34 |
| ▸ | CDK2 | P24941 | 3/20 | 0.34 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.34 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.33 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL2482390 | 0.83 | NUDT1 (0.45) | NUDT1PDE10ACCNE1CDK2ADORA2A | |
| SCHEMBL4672079 | 0.78 | ALDH1A3 (0.54) | NUDT1CCNE1CDK2ALDH1A2ALDH1A3 | |
| SCHEMBL3315531 | 0.76 | NUDT1 (0.42) | NUDT1PDE10AALDH1A2ALDH1A3 | |
| SCHEMBL7311083 | 0.75 | KDM4E (0.45) | NUDT1PDE10AALDH1A2ALDH1A3 | |
| SCHEMBL7308381 | 0.74 | JAK2 (0.50) | NUDT1ALDH1A2ALDH1A3ADORA2AAKT1 | |
| SCHEMBL10515334 | 0.73 | JAK2 (0.43) | NUDT1PDE10ACCNE1CDK2CCNE2 | |
| SCHEMBL13574520 | 0.71 | CYP2A6 (0.41) | NUDT1PDE10A | |
| SCHEMBL30627465 | 0.70 | NUDT1 (0.37) | NUDT1PDE10ACDK2ALDH1A2ALDH1A3 | |
| SCHEMBL7311707 | 0.70 | KDR (0.48) | NUDT1ALDH1A2ALDH1A3ADORA2AAKT1 | |
| SCHEMBL7317792 | 0.70 | ALDH1A3 (0.54) | NUDT1CDK2ALDH1A2ALDH1A3AKT1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2054060-A1 | FLUORINATED LIGANDS FOR TARGETING PERIPHERAL BENZODIAZEPINE RECEPTORS | AUSTRALIAN NUCLEAR SCIENCE & TECHNOLOGY ORGANISATION (AU) | 2009-05-06 | — | — | EP | disclosed |
| WO-2008022396-A1 | FLUORINATED LIGANDS FOR TARGETING PERIPHERAL BENZODIAZEPINE RECEPTORS | AUSTRALIAN NUCLEAR SCIENCE & TECHNOLOGY ORGANISATION (AU) | 2008-02-28 | — | — | WO | disclosed |