Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.40 |
| ▸ | HTR3B | O95264 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | HTR3A | P46098 | 2/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | PLK4 | O00444 | 1/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | PRKCG | P05129 | 1/20 | 0.38 |
| ▸ | FES | P07332 | 1/20 | 0.38 |
| ▸ | ROS1 | P08922 | 1/20 | 0.38 |
| ▸ | KIT | P10721 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8563871 | 0.80 | HTR3E (0.49) | PARP1TP53HTR3EHTR3BHTR1A | |
| SCHEMBL8565857 | 0.78 | PARP1 (0.53) | PARP1TP53MKNK2CDC7PLK4 | |
| SCHEMBL4118744 | 0.73 | PDE10A (0.55) | SIRT2SIRT1PDE2APDE5APDE4A | |
| SCHEMBL709373 | 0.73 | PARP1 (0.47) | PARP1TP53MKNK2CDC7PLK4 | |
| SCHEMBL8566230 | 0.72 | PDE2A (0.67) | PARP1TP53HTR3EHTR3BHTR1A | |
| SCHEMBL30809703 | 0.72 | PDE2A (0.67) | PARP1TP53HTR3EHTR3BHTR1A | |
| SCHEMBL21755742 | 0.71 | PARP1 (0.59) | PARP1TP53MKNK2CDC7PLK4 | |
| SCHEMBL2272021 | 0.70 | KDM4E (0.55) | TP53ADORA3SIRT2SIRT1PDE2A | |
| SCHEMBL21208505 | 0.70 | PARP1 (0.51) | PARP1HTR3EHTR3BHTR1AHTR3A | |
| SCHEMBL3993192 | 0.69 | PDE10A (0.43) | SIRT2SIRT1PDE2APDE10A |
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 |