Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
| ▸ | MYC | P01106 | 1/20 | 0.31 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1550382 | 0.87 | KMT2A (0.39) | KMT2AMEN1PDE10ANOTUMKAT2B | |
| SCHEMBL4283407 | 0.84 | KMT2A (0.41) | KMT2AMEN1PDE10ANOTUMKAT2B | |
| SCHEMBL4431168 | 0.81 | CYP1A2 (0.55) | CYP1A2KMT2AMEN1PDE10AMYC | |
| SCHEMBL4282589 | 0.79 | KMT2A (0.38) | KMT2AMEN1PDE10ANOTUMKAT2B | |
| SCHEMBL2830105 | 0.79 | ATM (0.43) | KMT2AMEN1PDE10ANOTUMKAT2B | |
| SCHEMBL2832018 | 0.78 | KMT2A (0.39) | KMT2AMEN1PDE10ANOTUMKAT2B | |
| SCHEMBL1943284 | 0.78 | POLB (0.38) | KMT2AMEN1PDE10AALDH1A1HPGD | |
| SCHEMBL14828565 | 0.76 | PTGDR2 (0.42) | KMT2AMEN1ALDH1A1KDM4EATM | |
| SCHEMBL2831260 | 0.75 | MCL1 (0.37) | KMT2AMEN1NOTUM | |
| SCHEMBL2149368 | 0.75 | KMT2A (0.43) | KMT2AMEN1PDE10ANOTUMKAT2B |
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 7 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 |
| 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 |
| EP-2313391-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2011-04-27 | — | — | EP | disclosed |
| WO-2009156339-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-12-30 | — | — | WO | disclosed |