Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.44 |
| ▸ | HTR1A | P08908 | 3/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.40 |
| ▸ | HTR3B | O95264 | 3/20 | 0.40 |
| ▸ | HTR3A | P46098 | 3/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 2/20 | 0.37 |
| ▸ | PDE6D | O43924 | 2/20 | 0.37 |
| ▸ | PDE8A | O60658 | 2/20 | 0.37 |
| ▸ | PDE5A | O76074 | 2/20 | 0.37 |
| ▸ | PDE9A | O76083 | 2/20 | 0.37 |
| ▸ | PDE8B | O95263 | 2/20 | 0.37 |
| ▸ | PDE6A | P16499 | 2/20 | 0.37 |
| ▸ | PDE6G | P18545 | 2/20 | 0.37 |
| ▸ | PDE4A | P27815 | 2/20 | 0.37 |
| ▸ | PDE6B | P35913 | 2/20 | 0.37 |
| ▸ | PDE6C | P51160 | 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 | |
|---|---|---|---|---|
| SCHEMBL14785932 | 0.77 | PARP1 (0.44) | PARP1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL8566784 | 0.75 | PARP1 (0.49) | PARP1HTR1AHTR3EHTR3BHTR3A | |
| SCHEMBL30809703 | 0.74 | PDE2A (0.67) | PARP1HTR1AHTR3EHTR3BHTR3A | |
| SCHEMBL8566230 | 0.74 | PDE2A (0.67) | PARP1HTR1AHTR3EHTR3BHTR3A | |
| SCHEMBL708266 | 0.70 | PARP1 (0.50) | PARP1TP53PDE2APDE6DPDE8A | |
| SCHEMBL256726 | 0.68 | RXFP1 (0.50) | PDE3BPDE3ADAOALDH1A1 | |
| SCHEMBL13833762 | 0.66 | ADORA3 (0.50) | PARP1TP53ALDH1A1MAPT | |
| SCHEMBL8570035 | 0.66 | HTR3E (0.54) | HTR1AHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL8483100 | 0.65 | DAO (0.61) | PARP1DAO | |
| SCHEMBL27055137 | 0.65 | CYP17A1 (0.37) | DAOMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0623620-B1 | 5-HT3 Pyrrolopyrazine derivatives | ADIR (FR) | 1998-09-09 | — | — | EP | disclosed |
| US-5599812-A | ANTISEROTONINE AGENTS | ADIR ET COMPAGNIE (FR) | 1997-02-04 | — | — | US | disclosed |
| EP-0623620-A1 | 5-HT3 Pyrrolopyrazine derivatives | ADIR ET COMPAGNIE (FR) | 1994-11-09 | — | — | EP | disclosed |