Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | DCLRE1B | Q9H816 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.32 |
| ▸ | GRIA4 | P48058 | 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 | |
|---|---|---|---|---|
| SCHEMBL3625416 | 0.89 | KDM4E (0.34) | GABRA2GABRB2MAPK1MAPTKDM4E | |
| SCHEMBL3628060 | 0.88 | ALKBH5 (0.37) | MAPTKDM4EALDH1A1PKMNOTUM | |
| SCHEMBL3632144 | 0.81 | ABCB1 (0.37) | GABRA2GABRB2PPP1CAMAPTRXFP1 | |
| SCHEMBL3631576 | 0.77 | ALDH1A1 (0.35) | MAPTKDM4EALDH1A1NOTUMMEN1 | |
| SCHEMBL3634602 | 0.77 | NR4A3 (0.37) | GABRA2GABRB2MAPK1KDM4EGRIA2 | |
| SCHEMBL3632440 | 0.75 | MAPK1 (0.40) | MAPK1KDM4EMEN1KMT2A | |
| SCHEMBL3627548 | 0.74 | COMT (0.33) | GABRA2GABRB2MAPK1KDM4EALDH1A1 | |
| SCHEMBL3627357 | 0.74 | ALDH1A1 (0.35) | MAPK1MAPTKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL3634680 | 0.74 | GRIA1 (0.35) | MAPK1KDM4EMEN1KMT2AGRIA2 | |
| SCHEMBL3632769 | 0.73 | GABRA2 (0.51) | GABRA2GABRB2MAPK1MAPTKDM4E |
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 |