Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 8/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.41 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.41 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.41 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.41 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.41 |
| ▸ | PDE2A | O00408 | 2/20 | 0.41 |
| ▸ | PDE6D | O43924 | 2/20 | 0.41 |
| ▸ | PDE8A | O60658 | 2/20 | 0.41 |
| ▸ | PDE5A | O76074 | 2/20 | 0.41 |
| ▸ | PDE9A | O76083 | 2/20 | 0.41 |
| ▸ | PDE8B | O95263 | 2/20 | 0.41 |
| ▸ | PDE6A | P16499 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8566230 | 0.79 | PDE2A (0.67) | PARP1TP53GRIN2DGRIN3BGRIA1 | |
| SCHEMBL30809703 | 0.79 | PDE2A (0.67) | PARP1TP53GRIN2DGRIN3BGRIA1 | |
| SCHEMBL14785932 | 0.75 | PARP1 (0.44) | PARP1TP53DAOADORA3HTR3E | |
| SCHEMBL8566356 | 0.75 | PARP1 (0.44) | PARP1TP53GRIN2DGRIN3BGRIA1 | |
| SCHEMBL31492151 | 0.71 | PARP1 (0.50) | PARP1TP53DAOAURKA | |
| SCHEMBL29893472 | 0.69 | PARP1 (0.47) | PARP1TP53 | |
| SCHEMBL14828842 | 0.69 | TP53 (0.55) | PARP1TP53AURKA | |
| SCHEMBL24098812 | 0.69 | PARP1 (0.65) | PARP1TP53PDE3BPDE3ADAO | |
| SCHEMBL9106684 | 0.69 | PARP1 (0.65) | PARP1TP53DAOAURKA | |
| SCHEMBL29893693 | 0.69 | TP53 (0.55) | PARP1TP53AURKA |
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 |