Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 4/20 | 0.34 |
| ▸ | KDM4A | O75164 | 3/20 | 0.33 |
| ▸ | KDM4B | O94953 | 3/20 | 0.33 |
| ▸ | KDM5B | Q9UGL1 | 3/20 | 0.33 |
| ▸ | IKBKB | O14920 | 2/20 | 0.33 |
| ▸ | KDM5C | P41229 | 2/20 | 0.33 |
| ▸ | CHUK | O15111 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.31 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | MET | P08581 | 1/20 | 0.30 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7743867 | 0.74 | MAPK1 (0.47) | ADRA1AADRA2AADRA2CADRA1DADRA1B | |
| SCHEMBL27153188 | 0.71 | PARP1 (0.47) | ADRA1APARP1 | |
| SCHEMBL28028675 | 0.71 | IKBKB (0.52) | IKBKBCHUKALK | |
| SCHEMBL1664855 | 0.71 | PARP1 (0.43) | ADRA1AKDM4AKDM4BKDM5BKDM5C | |
| SCHEMBL29507176 | 0.71 | PARP1 (0.43) | ADRA1AKDM4AKDM4BKDM5BKDM5C | |
| SCHEMBL8970025 | 0.70 | KDM4A (0.38) | KDM4AKDM4BKDM5BKDM5CEGLN1 | |
| SCHEMBL5021589 | 0.70 | PARP1 (0.33) | KDM4AKDM4BKDM5BKDM5CPARP1 | |
| SCHEMBL11415123 | 0.69 | HIF1A (0.34) | — | |
| SCHEMBL29507247 | 0.69 | KDM4C (0.46) | KDM4AKDM5BEGLN1PARP1 | |
| SCHEMBL1664968 | 0.69 | KDM4C (0.46) | KDM4AKDM5BEGLN1PARP1 |
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-2011163355-A1 | FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-12-29 | — | — | WO | disclosed |