Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 16/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 11/20 | 0.52 |
| ▸ | TSPO | P30536 | 1/20 | 0.52 |
| ▸ | GPR183 | P32249 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.52 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18912381 | 1.00 | ADORA2A (0.52) | ADORA2AADORA1TSPOGPR183SIGMAR1 | |
| SCHEMBL18912275 | 1.00 | ADORA2A (0.52) | ADORA2AADORA1TSPOGPR183SIGMAR1 | |
| SCHEMBL30252565 | 1.00 | ADORA2A (0.52) | ADORA2AADORA1TSPOGPR183SIGMAR1 | |
| SCHEMBL18912230 | 0.95 | ADORA2A (0.57) | ADORA2AADORA1TSPOGPR183SIGMAR1 | |
| SCHEMBL18893656 | 0.88 | ADORA2A (0.51) | ADORA2AADORA1TSPOGPR183SIGMAR1 | |
| SCHEMBL18912279 | 0.88 | ADORA2A (0.51) | ADORA2AADORA1TSPOGPR183SIGMAR1 | |
| SCHEMBL18893683 | 0.88 | ADORA2A (0.51) | ADORA2AADORA1TSPOGPR183SIGMAR1 | |
| SCHEMBL20911174 | 0.87 | ADORA2A (0.47) | ADORA2AADORA1TSPOGPR183SIGMAR1 | |
| SCHEMBL28995967 | 0.87 | ADORA2A (0.47) | ADORA2AADORA1TSPOGPR183SIGMAR1 | |
| SCHEMBL18912277 | 0.86 | ADORA2A (0.57) | ADORA2AADORA1TSPOGPR183SIGMAR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017088755-A1 | AMINOPYRIMIDINE HETEROCYCLIC COMPOUND WITH ADENOSINE RECEPTOR ANTAGONISTIC ACTIVITY | Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) | 2017-06-01 | — | — | WO | disclosed |