Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 3/20 | 0.53 |
| ▸ | HTR7 | P34969 | 2/20 | 0.50 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.49 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 2/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.49 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.49 |
| ▸ | HTR3B | O95264 | 2/20 | 0.49 |
| ▸ | HTR3A | P46098 | 2/20 | 0.49 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.49 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
| ▸ | HTR1D | P28221 | 1/20 | 0.48 |
| ▸ | HTR1B | P28222 | 1/20 | 0.48 |
| ▸ | PDE4A | P27815 | 2/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL683235 | 0.97 | PDE4B (0.56) | PDE4BHTR7TLR9TLR7HTR1A | |
| SCHEMBL361649 | 0.85 | ADRB1 (0.61) | HTR7HTR1AADRB1HTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL2156292 | 0.84 | ADRB1 (0.59) | HTR7TLR9TLR7HTR1AADRB1 | |
| Hydrochloric Acid SCHEMBL7711565 | 0.84 | ADRB1 (0.59) | HTR7TLR9TLR7HTR1AADRB1 | |
| SCHEMBL16476067 | 0.81 | PDE4B (0.50) | PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL882672 | 0.80 | PDE4B (0.47) | PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL10267073 | 0.79 | PDE4B (0.46) | PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL4981272 | 0.78 | PDE4B (0.57) | PDE4BPDE4APDE4CPDE4DALDH1A1 | |
| SCHEMBL682890 | 0.78 | PDE4B (0.46) | PDE4BTLR9TLR7PDE4APDE4C | |
| SCHEMBL2084595 | 0.78 | PDE4B (0.46) | PDE4BTLR9TLR7PDE4APDE4C |
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-2643000-A2 | THERAPEUTIC PIPERAZINES | Dart Neuroscience (Cayman) Ltd (KY) | 2013-10-02 | — | — | EP | disclosed |
| WO-2012040258-A2 | THERAPEUTIC PIPERAZINES | HELICON THERAPEUTICS, INC. (US) | 2012-03-29 | — | — | WO | disclosed |