Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | KMO | O15229 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL100765 | 0.72 | HPGDS (0.46) | HPGDSLTA4HBRD4ADORA2AADORA1 | |
| SCHEMBL66901 | 0.72 | HPGDS (0.48) | HPGDSLTA4HBRD4ADORA2AADORA1 | |
| SCHEMBL2590450 | 0.70 | NOTUM (0.42) | PPARA | |
| SCHEMBL4882183 | 0.68 | HPGDS (0.41) | HPGDSLTA4HBRD4ADORA2AADORA1 | |
| SCHEMBL16394567 | 0.67 | PPARA (0.41) | PPARAKMO | |
| SCHEMBL17701262 | 0.67 | HPGDS (0.40) | HPGDSLTA4HBRD4ADORA2AADORA1 | |
| SCHEMBL8742299 | 0.65 | PPARA (0.40) | PPARAKMO | |
| SCHEMBL6830738 | 0.65 | CYP1A2 (0.40) | HPGDSLTA4HBRD4 | |
| SCHEMBL8426897 | 0.65 | PPARA (0.40) | PPARAKMO | |
| SCHEMBL13114685 | 0.65 | HPGDS (0.47) | HPGDSLTA4HBRD4ADORA2AADORA1 |
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-1697394-B1 | COMT INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |