Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.36 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.36 |
| ▸ | ADA | P00813 | 4/20 | 0.36 |
| ▸ | PDE2A | O00408 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL12112280 | 0.94 | ADORA2A (0.42) | ADORA2AADORA2BADORA1CCNB2CDK1 | |
| SCHEMBL12112278 | 0.84 | TSHR (0.39) | ADORA2AADORA2BADORA1CCNB2CDK1 | |
| SCHEMBL21539425 | 0.72 | ADORA2A (0.78) | ADORA2AADORA2BADORA1ADAPDE2A | |
| SCHEMBL23774610 | 0.72 | ADORA2A (0.52) | ADORA2AADORA2BADORA1CCNB2CDK1 | |
| SCHEMBL22381514 | 0.70 | CYP1A2 (0.55) | ADORA2AADORA2BADORA1CCNB2CDK1 | |
| SCHEMBL23619296 | 0.68 | HPRT1 (0.46) | ADORA2AADORA2BADORA1SLC29A1LMNA | |
| SCHEMBL12112259 | 0.66 | ADORA2A (0.54) | ADORA2AADORA2BADORA1PDE4APDE4B | |
| SCHEMBL22381495 | 0.65 | ADORA2A (0.74) | ADORA2AADORA2BADORA1ADAPDE2A | |
| SCHEMBL24026378 | 0.65 | SLC29A1 (0.45) | ADORA2AADORA2BADORA1CDK1CCNB1 | |
| SCHEMBL12113559 | 0.65 | ADORA2A (0.52) | ADORA2AADORA2BADORA1CDK1CCNB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8518901-B2 | Fused diimidazodiazepine compounds and methods of use and manufacture thereof | THE JOHNS HOPKINS UNIVERSITY (US) | 2013-08-27 | — | — | US | disclosed |
| US-8518901-B2 | Fused diimidazodiazepine compounds and methods of use and manufacture thereof | THE JOHNS HOPKINS UNIVERSITY (US) | 2013-08-27 | — | — | US | disclosed |