Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 3/20 | 0.38 |
| ▸ | CDK9 | P50750 | 3/20 | 0.38 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.37 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.34 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 2/20 | 0.33 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | BRAF | P15056 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL11076829 | 0.77 | PARP1 (0.41) | PARP1EPHB4HASPINNAMPTGSK3A | |
| SCHEMBL17165397 | 0.71 | PARP1 (0.37) | PARP1CDK2HASPINMAP4K1CCR8 | |
| SCHEMBL12543644 | 0.68 | HSD17B10 (0.45) | PARP1 | |
| SCHEMBL31401569 | 0.67 | PARP1 (0.44) | PARP1CDK2HASPINMAP4K1CCR8 | |
| SCHEMBL19975846 | 0.66 | GRM2 (0.35) | PARP1EPHB4HASPINMAP4K1KDM4C | |
| SCHEMBL31468423 | 0.66 | MAP4K1 (0.43) | PARP1CDK2CDK9HASPINMAP4K1 | |
| SCHEMBL20713018 | 0.65 | PARP1 (0.45) | PARP1HASPINKCNH2 | |
| SCHEMBL20836119 | 0.65 | PARP1 (0.45) | PARP1HASPINMAP4K1GSK3AGSK3B | |
| SCHEMBL27727296 | 0.65 | PTGS1 (0.45) | — | |
| SCHEMBL28230835 | 0.65 | PARP1 (0.47) | PARP1KCNH2 |
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-0048040-B1 | 7-SUBSTITUTED 2,3-DIHYDROBENZOFURANS, THEIR PREPARATION AND THEIR USE AS PESTICIDES OR AS CHEMICAL INTERMEDIATES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1984-08-29 | — | — | EP | disclosed |
| EP-0048040-A1 | 7-Substituted 2,3-dihydrobenzofurans, their preparation and their use as pesticides or as chemical intermediates | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1982-03-24 | — | — | EP | disclosed |