Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 16/20 | 0.66 |
| ▸ | HTR3A | P46098 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.52 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8824023 | 0.88 | PARP1 (0.68) | PARP1HTR3AKCNH2GRM2 | |
| SCHEMBL423080 | 0.85 | PARP1 (0.56) | PARP1HTR3AKCNH2GRM2 | |
| SCHEMBL7259689 | 0.83 | PARP1 (0.47) | PARP1HTR3AKCNH2GRM2 | |
| SCHEMBL9034715 | 0.81 | PARP1 (0.48) | PARP1HTR3AKCNH2GRM2 | |
| SCHEMBL831830 | 0.80 | PARP1 (1.00) | PARP1 | |
| SCHEMBL9243355 | 0.80 | PARP1 (0.55) | PARP1HTR3AKCNH2GRM2 | |
| SCHEMBL8824093 | 0.80 | PARP1 (0.55) | PARP1HTR3AKCNH2GRM2 | |
| SCHEMBL9034743 | 0.78 | TUBB4A (0.47) | PARP1HTR3A | |
| SCHEMBL7260954 | 0.78 | HPGD (0.49) | PARP1KCNH2GRM2 | |
| SCHEMBL6139222 | 0.78 | PARP1 (0.44) | PARP1HTR3AKCNH2GRM2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1208104-B1 | TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES | AGOURON PHARMA (US) | 2005-01-19 | — | — | EP | disclosed |
| US-6548494-B1 | 3,4-dihydro-2H-(1,4)diazepino(6,7,1-hi)indol-1-one or 1-thione derivatives where indole C3 could also be N; use treating cancers as well as stroke, head trauma, and neurodegenerative diseases | AGOURON PHARMACEUTICALS, INC. | 2003-04-15 | — | — | US | disclosed |