Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 7/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | PSD | A5PKW4 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1550877 | 0.87 | ALOX12 (0.46) | ALOX12MDM2MAPTGAAGFER | |
| SCHEMBL4280975 | 0.87 | ALOX12 (0.59) | ALOX12MDM2MAPTGAAGFER | |
| SCHEMBL1550246 | 0.80 | MAPK14 (0.43) | ALOX12MDM2MAPTGAAGFER | |
| SCHEMBL1550598 | 0.75 | KMT2A (0.37) | ALOX12MAPTGAAGFERKDM4E | |
| SCHEMBL1718661 | 0.75 | GAA (0.50) | MAPTGAAGFERSMN1; SMN2KDM4E | |
| SCHEMBL1943025 | 0.74 | CYP2C9 (0.48) | CYP2C9ALDH1A1 | |
| SCHEMBL4281001 | 0.74 | DHODH (0.36) | MAPTGAAGFERKDM4EATM | |
| SCHEMBL4282562 | 0.73 | GAA (0.36) | MAPTGAAGFERKDM4EATM | |
| SCHEMBL1551060 | 0.73 | GAA (0.36) | MAPTGAAGFERKDM4EATM | |
| SCHEMBL1036361 | 0.73 | RORC (0.51) | MAPTGAAGFERKDM4EATM |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8415356-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2013-04-09 | — | — | US | claimed |
| EP-2313391-B1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | LUNDBECK & CO AS H (DK) | 2012-12-26 | — | — | EP | claimed |
| CN-102123998-A | Isoquinolinone derivatives as nk3 antagonists | LUNDBECK & CO AS H | 2011-07-13 | — | — | CN | claimed |
| EP-2313391-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2011-04-27 | — | — | EP | claimed |
| WO-2009156339-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-12-30 | — | — | WO | claimed |
| US-8415356-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2013-04-09 | — | — | US | disclosed |
| EP-2313391-B1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | LUNDBECK & CO AS H (DK) | 2012-12-26 | — | — | EP | disclosed |
| CN-102123998-A | Isoquinolinone derivatives as nk3 antagonists | LUNDBECK & CO AS H | 2011-07-13 | — | — | CN | disclosed |