Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 12/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| SCHEMBL2676415 | 0.91 | HTR7 (0.45) | ADRA1DADRA1AADRA1BHTR7GRM5 | |
| SCHEMBL2676084 | 0.81 | HTR7 (0.50) | HTR7KMT2AMEN1DRD3DRD2 | |
| SCHEMBL3632718 | 0.80 | CHRM2 (0.39) | KMT2AMEN1DRD3DRD2 | |
| SCHEMBL3632605 | 0.79 | ALDH1A1 (0.37) | HTR7KMT2AHTR1A | |
| SCHEMBL2676011 | 0.79 | DRD2 (0.43) | HTR7HTR1ADRD3DRD2HTR2C | |
| SCHEMBL2676304 | 0.79 | HTR7 (0.51) | HTR7KMT2AMEN1HTR1ADRD3 | |
| SCHEMBL3635178 | 0.78 | KMT2A (0.39) | KMT2AMEN1 | |
| SCHEMBL2676503 | 0.78 | MEN1 (0.44) | ADRA1DADRA1AADRA1BHTR7KMT2A | |
| SCHEMBL2676818 | 0.78 | OPRM1 (0.42) | HTR1ADRD2 | |
| SCHEMBL2677815 | 0.77 | HTR1A (0.46) | ADRA1DADRA1AADRA1BKMT2AMEN1 |
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 |