Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | CETP | P11597 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22952674 | 1.00 | ADORA2A (0.38) | ADORA2AADORA1TRPM8KCNA5KCNH2 | |
| Hydrochloric Acid SCHEMBL28719364 | 0.99 | SLC6A2 (0.38) | ADORA2AADORA1TRPM8KCNA5KCNH2 | |
| Hydrochloric Acid SCHEMBL28719366 | 0.99 | SLC6A2 (0.38) | ADORA2AADORA1TRPM8KCNA5KCNH2 | |
| SCHEMBL22952726 | 0.86 | ADORA2A (0.37) | ADORA2AADORA1TRPM8KCNA5KCNH2 | |
| Hydrochloric Acid SCHEMBL28715423 | 0.85 | SLC6A2 (0.36) | ADORA2AADORA1TRPM8KCNA5KCNH2 | |
| Hydrochloric Acid SCHEMBL28715421 | 0.85 | SLC6A2 (0.36) | ADORA2AADORA1TRPM8KCNA5KCNH2 | |
| SCHEMBL18704160 | 0.82 | CETP (0.43) | GPR139CETPSLC6A2 | |
| SCHEMBL171242 | 0.82 | GPR139 (0.43) | KCNA5KCNH2GPR139CTSSCTSK | |
| SCHEMBL734938 | 0.81 | KIF11 (0.43) | TRPM8CETPKIF11SLC6A2 | |
| SCHEMBL16563768 | 0.81 | PDE2A (0.40) | SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115461327-A | Spiro urea derivatives | 爱杜西亚药品有限公司 | 2022-12-09 | — | — | CN | disclosed |
| EP-3466953-B1 | PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR | INCYTE HOLDINGS CORP (US) | 2021-02-03 | — | — | EP | disclosed |