Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G4A | P47712 | 6/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.32 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 2/20 | 0.31 |
| ▸ | PPARD | Q03181 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.30 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.30 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
| ▸ | FFAR4 | Q5NUL3 | 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 | |
|---|---|---|---|---|
| SCHEMBL3634680 | 0.89 | GRIA1 (0.35) | MAPK1 | |
| SCHEMBL3634602 | 0.75 | NR4A3 (0.37) | MAPK1 | |
| SCHEMBL3625416 | 0.75 | KDM4E (0.34) | MAPK1 | |
| SCHEMBL3627548 | 0.74 | COMT (0.33) | MAPK1 | |
| SCHEMBL3631523 | 0.72 | MAPK1 (0.38) | MAPK1 | |
| SCHEMBL3627357 | 0.72 | ALDH1A1 (0.35) | MAPK1 | |
| SCHEMBL3633919 | 0.69 | MEN1 (0.45) | MAPK1 | |
| SCHEMBL3634031 | 0.68 | PLA2G4A (0.35) | PLA2G4AFFAR1PRMT1MAPK1 | |
| SCHEMBL3635017 | 0.66 | GABRA2 (0.36) | MAPK1 | |
| SCHEMBL3632144 | 0.66 | ABCB1 (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2150534-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2010-02-10 | — | — | EP | claimed |
| WO-2008131779-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2008-11-06 | — | — | WO | claimed |
| EP-2150534-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2010-02-10 | — | — | EP | disclosed |
| WO-2008131779-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2008-11-06 | — | — | WO | disclosed |