Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 12/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.38 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.38 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.38 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.38 |
| ▸ | PBK | Q96KB5 | 2/20 | 0.38 |
| ▸ | CDC7 | O00311 | 2/20 | 0.38 |
| ▸ | PLK4 | O00444 | 2/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.38 |
| ▸ | DYRK3 | O43781 | 2/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8569938 | 0.78 | PARP1 (0.49) | PARP1TP53PBKCDC7PLK4 | |
| SCHEMBL4038168 | 0.78 | CHEK1 (0.41) | PARP1GRIN2DGRIN3BGRIA1GRIA2 | |
| SCHEMBL31026861 | 0.78 | CHEK1 (0.41) | PARP1GRIN2DGRIN3BGRIA1GRIA2 | |
| SCHEMBL8566230 | 0.75 | PDE2A (0.67) | PARP1TP53GRIN2DGRIN3BGRIA1 | |
| SCHEMBL30809703 | 0.75 | PDE2A (0.67) | PARP1TP53GRIN2DGRIN3BGRIA1 | |
| SCHEMBL21208437 | 0.72 | ZAP70 (0.41) | TP53POLB | |
| SCHEMBL8563871 | 0.72 | HTR3E (0.49) | PARP1TP53 | |
| SCHEMBL2429766 | 0.72 | PARP1 (0.65) | PARP1TP53GRIN2DGRIN3BGRIN1 | |
| SCHEMBL31386834 | 0.71 | PARP1 (0.47) | PARP1TP53GRIN2DGRIN3BGRIA1 | |
| SCHEMBL21208505 | 0.70 | PARP1 (0.51) | PARP1FLT1 |
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 |