Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 14/20 | 1.00 |
| ▸ | HTR3E | A5X5Y0 | 13/20 | 1.00 |
| ▸ | HTR3B | O95264 | 13/20 | 1.00 |
| ▸ | HTR3A | P46098 | 13/20 | 1.00 |
| ▸ | HTR3D | Q70Z44 | 13/20 | 1.00 |
| ▸ | HTR3C | Q8WXA8 | 13/20 | 1.00 |
| ▸ | HTR2C | P28335 | 10/20 | 1.00 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | USP2 | O75604 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | DRD2 | P14416 | 1/20 | 0.58 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.58 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL8878952 | 0.83 | HTR3E (0.77) | HTR1AHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL8565127 | 0.83 | HTR3E (1.00) | HTR1AHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL8569998 | 0.82 | HTR1A (1.00) | HTR1AHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL8566070 | 0.81 | HTR1A (1.00) | HTR1AHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL12354260 | 0.81 | HTR1A (0.67) | HTR1AHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL8879665 | 0.77 | HTR3E (1.00) | HTR1AHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL8566532 | 0.75 | HTR3E (0.76) | HTR1AHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL8567602 | 0.74 | HTR1A (1.00) | HTR1AHTR3EHTR3BHTR3AHTR3D | |
| Piribedil SCHEMBL150101 | 0.74 | MEN1 (1.00) | HTR1AMEN1USP2CYP1A2CYP3A4 | |
| Piribedil SCHEMBL5605887 | 0.74 | MEN1 (1.00) | HTR1AMEN1USP2CYP1A2CYP3A4 |
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 5 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 | claimed |
| EP-0623620-A1 | 5-HT3 Pyrrolopyrazine derivatives | ADIR ET COMPAGNIE (FR) | 1994-11-09 | — | — | EP | claimed |
| 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 |