Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.45 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29791283 | 0.83 | PARP1 (0.52) | PARP1RORCHTR1ACYP19A1SLC6A2 | |
| SCHEMBL13635655 | 0.83 | PARP1 (0.52) | PARP1RORCHTR1ACYP19A1SLC6A2 | |
| SCHEMBL8248843 | 0.80 | LMNA (0.36) | PARP1HTR1A | |
| SCHEMBL1840365 | 0.77 | PARP1 (0.44) | PARP1GRM2GSK3AGSK3BHASPIN | |
| SCHEMBL8255618 | 0.77 | HTR7 (0.46) | HTR1AHTR7 | |
| SCHEMBL28230835 | 0.74 | PARP1 (0.47) | PARP1GRM2HTR1ASLC6A2SLC6A4 | |
| SCHEMBL1812982 | 0.72 | ACHE (0.42) | PARP1HTR1A | |
| SCHEMBL20713018 | 0.71 | PARP1 (0.45) | PARP1GRM2HASPINSLC6A2SLC6A4 | |
| SCHEMBL27896035 | 0.71 | KCNH2 (0.43) | PARP1SLC6A2SLC6A4KCNH2 | |
| SCHEMBL14786485 | 0.70 | CDK2 (0.44) | PARP1GRM2RORCHASPINMAP4K1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1874750-A1 | DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS | Wyeth Incoporated (US) | 2008-01-09 | — | — | EP | disclosed |