Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 8/20 | 0.47 |
| ▸ | DRD2 | P14416 | 6/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | RPTOR | Q8N122 | 1/20 | 0.46 |
| ▸ | MLST8 | Q9BVC4 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 6/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2675645 | 0.86 | KCNH2 (0.52) | HTR7DRD4DRD2DRD3HTR1A | |
| SCHEMBL2676084 | 0.85 | HTR7 (0.50) | HTR7DRD4DRD2DRD3KDM4E | |
| SCHEMBL1718018 | 0.83 | TACR3 (0.43) | HTR7DRD4DRD2MTORRPTOR | |
| SCHEMBL2677071 | 0.83 | HTR1A (0.54) | HTR7DRD4DRD2DRD3HTR1A | |
| SCHEMBL2675489 | 0.82 | ALDH1A1 (0.44) | HTR7ALDH1A1LMNA | |
| SCHEMBL2676766 | 0.81 | MCL1 (0.46) | HTR7DRD4DRD2DRD3KDM4E | |
| SCHEMBL2676392 | 0.81 | MAPK1 (0.45) | KDM4EALDH1A1LMNAHTT | |
| SCHEMBL2675569 | 0.81 | ALDH1A1 (0.46) | ADRA1AKDM4EALDH1A1CYP2D6HIF1A | |
| SCHEMBL2676072 | 0.81 | DRD2 (0.56) | DRD4DRD2DRD3HTR1AADRA1A | |
| SCHEMBL2675780 | 0.80 | ALDH1A1 (0.48) | KDM4EALDH1A1LMNAHTT |
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-8173639-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2012-05-08 | — | — | US | claimed |
| EP-2150534-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2010-02-10 | — | — | EP | claimed |
| US-20090143402-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-06-04 | — | — | US | claimed |
| WO-2008131779-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2008-11-06 | — | — | WO | claimed |
| US-8173639-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2012-05-08 | — | — | US | disclosed |
| EP-2150534-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2010-02-10 | — | — | EP | disclosed |
| US-20090143402-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-06-04 | — | — | US | disclosed |
| WO-2008131779-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2008-11-06 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090143402-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | KCNQ3, KCNK3, GRIK3 | HTR7 598/4885DRD4 226/4885DRD2 209/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.