Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.49 |
| ▸ | DRD3 | P35462 | 2/20 | 0.49 |
| ▸ | HTR2A | P28223 | 4/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 4/20 | 0.40 |
| ▸ | HTR3B | O95264 | 4/20 | 0.40 |
| ▸ | HTR3A | P46098 | 4/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 4/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 4/20 | 0.40 |
| ▸ | HTR6 | P50406 | 3/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8563995 | 0.87 | DRD2 (0.54) | DRD2DRD3HTR2AHTR1ADRD4 | |
| SCHEMBL8565094 | 0.86 | DHFR (0.40) | DRD2DRD3DRD4HTR3EHTR3B | |
| SCHEMBL8572082 | 0.85 | HTR3E (0.41) | DRD2DRD3HTR2AHTR1AHTR2C | |
| SCHEMBL8563723 | 0.84 | CNR2 (0.39) | DRD2DRD3HTR2ADRD4HTR2C | |
| SCHEMBL8562645 | 0.84 | DRD2 (0.49) | DRD2DRD3HTR2AHTR1ADRD4 | |
| SCHEMBL8570798 | 0.82 | DRD2 (0.50) | DRD2DRD3HTR2ADRD4HTR3E | |
| SCHEMBL8566284 | 0.82 | DRD4 (0.54) | DRD2DRD3HTR1ADRD4HTR2C | |
| SCHEMBL1660467 | 0.81 | CYP1A2 (0.41) | DRD2DRD3HTR2AHTR1ADRD4 | |
| SCHEMBL8570952 | 0.81 | HTR1A (0.43) | DRD2DRD3HTR2AHTR1ADRD4 | |
| SCHEMBL8571643 | 0.80 | ALDH1A1 (0.52) | HTR1AHTR3EHTR3BHTR3AHTR3D |
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 |