Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | COMT | P21964 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL3632440 | 0.85 | MAPK1 (0.40) | MAPK1KDM4ELMNACOMTRORC | |
| SCHEMBL4316385 | 0.81 | MEN1 (0.43) | MAPK1KDM4ELMNACOMTALDH1A1 | |
| SCHEMBL3625416 | 0.80 | KDM4E (0.34) | MAPK1KDM4ECOMTALDH1A1 | |
| SCHEMBL3632144 | 0.75 | ABCB1 (0.37) | KDM4ELMNA | |
| SCHEMBL3634031 | 0.73 | PLA2G4A (0.35) | MAPK1 | |
| SCHEMBL3632665 | 0.72 | ABCB1 (0.50) | KDM4ELMNAALDH1A1HPGD | |
| SCHEMBL3633358 | 0.72 | NOTUM (0.44) | KDM4ELMNAALDH1A1 | |
| SCHEMBL3634622 | 0.72 | NOTUM (0.45) | KDM4ELMNA | |
| SCHEMBL3631523 | 0.71 | MAPK1 (0.38) | MAPK1KDM4ELMNARORC | |
| SCHEMBL3635017 | 0.71 | GABRA2 (0.36) | MAPK1KDM4EALDH1A1 |
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-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 |