Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | IKBKB | O14920 | 1/20 | 0.31 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.30 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7165011 | 0.88 | PARP1 (0.40) | — | |
| SCHEMBL6203099 | 0.87 | GRM2 (0.31) | GRM2 | |
| SCHEMBL7158050 | 0.85 | PARP1 (0.35) | GRM2PTGS2IKBKBTNKS2 | |
| SCHEMBL6201527 | 0.82 | PARP1 (0.41) | GRM2ALDH1A1 | |
| SCHEMBL7156783 | 0.81 | PARP1 (0.39) | GRM2 | |
| SCHEMBL7162610 | 0.81 | PARP1 (0.41) | GRM2 | |
| SCHEMBL6200931 | 0.81 | PARP1 (0.39) | GRM2 | |
| SCHEMBL7165443 | 0.80 | GRM2 (0.33) | GRM2 | |
| SCHEMBL7165369 | 0.78 | PARP1 (0.42) | GRM2 | |
| SCHEMBL7158090 | 0.78 | PARP1 (0.43) | GRM2 |
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 |