Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | KDM4A | O75164 | 1/20 | 0.32 |
| ▸ | KDM4B | O94953 | 1/20 | 0.32 |
| ▸ | KDM5C | P41229 | 1/20 | 0.32 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | PNP | P00491 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL1664855 | 0.74 | PARP1 (0.43) | KDM4AKDM4BKDM5CKDM5BADRA1D | |
| SCHEMBL29507176 | 0.74 | PARP1 (0.43) | KDM4AKDM4BKDM5CKDM5BADRA1D | |
| SCHEMBL7743849 | 0.72 | MAPK1 (0.50) | MAPK1CCNT1CCNA2CDK2CDK9 | |
| SCHEMBL18879077 | 0.71 | ROCK1 (0.44) | KDM4AKDM4BKDM5CKDM5BMAPK1 | |
| SCHEMBL21855872 | 0.70 | GSTP1 (0.46) | BRD4HSD17B10 | |
| SCHEMBL29506066 | 0.70 | GSTP1 (0.46) | BRD4HSD17B10 | |
| SCHEMBL28937038 | 0.70 | ALDH1A1 (0.43) | L3MBTL1HSD17B10MAPK1 | |
| SCHEMBL8852431 | 0.69 | BCL2 (0.39) | KDM4AKDM4BKDM5CKDM5BADRA1A | |
| SCHEMBL21912960 | 0.69 | MAPK1 (0.35) | KDM4AKDM4BKDM5CKDM5BTP53 | |
| SCHEMBL21856245 | 0.69 | MAPK1 (0.52) | KDM4AKDM4BKDM5CKDM5BADRA1D |
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-2585462-A1 | FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2013-05-01 | — | — | EP | disclosed |
| WO-2011163355-A1 | FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-12-29 | — | — | WO | disclosed |