Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR119 | Q8TDV5 | 8/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 5/20 | 0.32 |
| ▸ | OXTR | P30559 | 1/20 | 0.32 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.32 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.32 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | CACNB4 | O00305 | 2/20 | 0.31 |
| ▸ | CACNA1A | O00555 | 2/20 | 0.31 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.31 |
| ▸ | CACNG3 | O60359 | 2/20 | 0.31 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.31 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.31 |
| ▸ | CACNB3 | P54284 | 2/20 | 0.31 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2473414 | 0.91 | AVPR1A (0.38) | AVPR1A | |
| SCHEMBL2469520 | 0.90 | GPR119 (0.35) | GPR119PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL2476334 | 0.88 | GPR119 (0.37) | GPR119OXTRAVPR1ADDB1CRBN | |
| SCHEMBL2469541 | 0.88 | GPR119 (0.34) | GPR119PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL2559351 | 0.88 | GPR119 (0.35) | GPR119NAMPTOXTRAVPR1ADDB1 | |
| SCHEMBL2469674 | 0.88 | PDE4A (0.34) | GPR119PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL2473420 | 0.85 | CACNB4 (0.34) | GPR119PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL2336887 | 0.85 | PDE4B (0.36) | GPR119PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL2556747 | 0.84 | HDAC1 (0.38) | GPR119NAMPTOXTRAVPR1ADDB1 | |
| SCHEMBL2337016 | 0.84 | DDB1 (0.35) | GPR119PDE4APDE4BPDE4CPDE4D |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3035939-A1 | V1A ANTAGONISTS TO TREAT PHASE SHIFT SLEEP DISORDERS | F. Hoffmann-La Roche AG (CH) | 2016-06-29 | — | — | EP | disclosed |
| WO-2015024819-A1 | V1A ANTAGONISTS TO TREAT PHASE SHIFT SLEEP DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2015-02-26 | — | — | WO | disclosed |
| EP-2370441-A1 | ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN VIA RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2011-10-05 | — | — | EP | disclosed |
| WO-2010060836-A1 | ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN VIA RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-06-03 | — | — | WO | disclosed |