Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 5/20 | 0.39 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | HTR5A | P47898 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1950774 | 0.81 | BACE1 (0.38) | BACE1DGAT2GRIN1GRIN2BGRIN2A | |
| SCHEMBL1948561 | 0.81 | BACE1 (0.36) | BACE1DGAT2GRIN1GRIN2BGRIN2A | |
| SCHEMBL1951290 | 0.76 | BACE1 (0.42) | BACE1DGAT2GRIN1GRIN2BSLC5A1 | |
| SCHEMBL1950220 | 0.75 | BACE1 (0.38) | BACE1DGAT2GRIN1GRIN2BSLC5A1 | |
| SCHEMBL1950237 | 0.75 | BACE1 (0.38) | BACE1DGAT2GRIN1GRIN2BSLC5A1 | |
| SCHEMBL1952174 | 0.75 | BACE1 (0.38) | BACE1DGAT2SLC5A1CTSA | |
| SCHEMBL1948964 | 0.74 | BACE1 (0.39) | BACE1DGAT2SLC5A1 | |
| SCHEMBL1950590 | 0.72 | BACE1 (0.36) | BACE1DGAT2SLC5A1CTSA | |
| SCHEMBL1851293 | 0.71 | BACE1 (0.36) | BACE1DGAT2GRIN1GRIN2BGRIN2A | |
| SCHEMBL1951609 | 0.71 | BACE1 (0.35) | BACE1DGAT2PRMT5WDR77SLC5A1 |
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-2323482-A1 | SUBSTITUTED DIHYDROISOQUINOLINONE AND ISOQUINOLINEDIONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | Merck & Co., Inc. (US) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010017048-A1 | SUBSTITUTED DIHYDROISOQUINOLINONE AND ISOQUINOLINEDIONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2010-02-11 | — | — | WO | disclosed |