Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 7/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.35 |
| ▸ | FEN1 | P39748 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.34 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.33 |
| ▸ | CDK7 | P50613 | 1/20 | 0.32 |
| ▸ | CDK13 | Q14004 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8774394 | 0.90 | GRIN2B (0.33) | GRIN2BGRIN1PTGS2GPR55CDK7 | |
| SCHEMBL8775100 | 0.88 | ESR2 (0.33) | GRIN2BGRIN1PTGS2GPR55CDK7 | |
| SCHEMBL8774704 | 0.87 | PDE5A (0.33) | GRIN2BGRIN1PTGS2GPR55 | |
| SCHEMBL8774654 | 0.86 | GAA (0.33) | GRIN2BGRIN1PTGS2GPR55 | |
| SCHEMBL8774698 | 0.86 | GAA (0.33) | GRIN2BGRIN1PTGS2GPR55 | |
| SCHEMBL9158975 | 0.83 | PTGS2 (0.37) | PTGS2 | |
| SCHEMBL8775244 | 0.81 | SLC6A2 (0.38) | GRIN2BGRIN1PTGS2ACACB | |
| SCHEMBL8774117 | 0.81 | DGAT1 (0.39) | GRIN2BGRIN1ALOX5APFEN1GPR55 | |
| SCHEMBL8774122 | 0.81 | DGAT1 (0.39) | GRIN2BGRIN1ALOX5APFEN1GPR55 | |
| SCHEMBL8774613 | 0.80 | TRPV3 (0.37) | TRPV3 |
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-0519370-B1 | Heterocyclic derivatives | MERCK PATENT GMBH (DE) | 1997-11-05 | — | — | EP | disclosed |
| EP-0519370-A2 | Heterocyclic derivatives | MERCK PATENT GmbH (DE) | 1992-12-23 | — | — | EP | disclosed |