Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 10/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 7/20 | 0.41 |
| ▸ | SCN1A | P35498 | 1/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.39 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.37 |
| ▸ | HTR1A | P08908 | 3/20 | 0.37 |
| ▸ | DRD2 | P14416 | 3/20 | 0.37 |
| ▸ | DRD4 | P21917 | 3/20 | 0.37 |
| ▸ | HTR1D | P28221 | 3/20 | 0.37 |
| ▸ | HTR2A | P28223 | 3/20 | 0.37 |
| ▸ | HTR2C | P28335 | 3/20 | 0.37 |
| ▸ | HTR7 | P34969 | 3/20 | 0.37 |
| ▸ | DRD1 | P21728 | 2/20 | 0.37 |
| ▸ | DRD5 | P21918 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4839599 | 0.87 | OPRM1 (0.48) | OPRM1OPRL1SCN1ASCN2ASCN3A | |
| SCHEMBL4839787 | 0.80 | HTR2A (0.47) | DRD2HTR2ADRD3 | |
| SCHEMBL4838194 | 0.77 | MTNR1B (0.53) | OPRM1OPRL1SCN1ASCN2ASCN3A | |
| SCHEMBL4832883 | 0.77 | OPRM1 (0.48) | OPRM1OPRL1SCN1ASCN2ASCN3A | |
| SCHEMBL4839076 | 0.69 | DRD2 (0.51) | OPRD1DRD2DRD4MEN1KMT2A | |
| SCHEMBL4837162 | 0.68 | DRD2 (0.40) | HTR1ADRD2HTR1DHTR2ADRD3 | |
| SCHEMBL6668370 | 0.68 | MTNR1B (0.43) | MTNR1BMEN1KMT2A | |
| SCHEMBL4838758 | 0.68 | MCHR1 (0.46) | DRD2DRD4DRD3MEN1KMT2A | |
| SCHEMBL4836909 | 0.67 | NPSR1 (0.49) | HTR1ADRD2HTR1DHTR2ADRD3 | |
| SCHEMBL4839490 | 0.67 | HTR2A (0.47) | HTR1ADRD2DRD4HTR1DHTR2A |
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-1458714-A1 | 3,4-DIHYDRO-1H-ISOQUINOLOIN-2-YL-DERIVATIVES | H. Lundbeck A/S (DK) | 2004-09-22 | — | — | EP | claimed |
| WO-2003051869-A1 | 3,4-DIHYDRO-1H-ISOQUINOLOIN-2-YL-DERIVATIVES | H. LUNDBECK A/S (DK) | 2003-06-26 | — | — | WO | claimed |