Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 10/20 | 0.60 |
| ▸ | PDE4B | Q07343 | 10/20 | 0.60 |
| ▸ | PDE4C | Q08493 | 10/20 | 0.60 |
| ▸ | PDE4D | Q08499 | 10/20 | 0.60 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.60 |
| ▸ | ADORA2B | P29275 | 9/20 | 0.60 |
| ▸ | CFTR | P13569 | 2/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.55 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.51 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.51 |
| ▸ | ALPL | P05186 | 1/20 | 0.51 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.50 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL15923706 | 1.00 | PDE4A (0.60) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL19210142 | 0.94 | PDE4A (0.68) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL7029046 | 0.82 | PDE4A (0.59) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL9350679 | 0.77 | PDE4A (0.54) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL7021175 | 0.77 | ADORA2B (0.56) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL7018925 | 0.77 | ADORA2B (0.56) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL7016029 | 0.76 | ADORA2A (1.00) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL7025705 | 0.76 | ADORA2B (0.55) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL9354344 | 0.75 | ADORA2B (0.47) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL7460178 | 0.74 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DADORA2A |
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-2951180-A1 | 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2015-12-09 | — | — | EP | disclosed |
| WO-2014120748-A1 | 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-08-07 | — | — | WO | disclosed |