Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL1699229 | 0.78 | KDM4E (0.35) | ALDH1A1MAPTATMDRD1KDM4E | |
| SCHEMBL9981244 | 0.66 | CRHR1 (0.30) | — | |
| SCHEMBL14889063 | 0.57 | KDM4E (0.33) | KDM4E | |
| SCHEMBL9981466 | 0.57 | PDE10A (0.36) | KDM4E | |
| SCHEMBL1699212 | 0.57 | MAP3K11 (0.40) | ALDH1A1KDM4EGAAMAPK1HSD17B10 | |
| SCHEMBL13043497 | 0.56 | ACHE (0.44) | ALDH1A1MAPTGAA | |
| SCHEMBL3105485 | 0.54 | LTA4H (0.44) | — | |
| SCHEMBL3096964 | 0.54 | CA12 (0.54) | ALDH1A1MAPTGAAMAPK1 | |
| SCHEMBL2099154 | 0.53 | ABCB1 (0.48) | ALDH1A1MAPTKDM4EGAA | |
| SCHEMBL17557183 | 0.53 | GLA (0.44) | ALDH1A1MAPTKDM4EGAAMAPK1 |
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 |