Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 17/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 13/20 | 0.36 |
| ▸ | RXRA | P19793 | 11/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL98041 | 0.84 | MAPT (0.44) | — | |
| SCHEMBL900868 | 0.78 | GRIN2B (0.35) | GRIN2BKCNH2GRIN1RXRA | |
| SCHEMBL900483 | 0.76 | MEN1 (0.52) | GRIN2BKCNH2GRIN1RXRA | |
| SCHEMBL363523 | 0.76 | HSD17B10 (0.46) | GRIN2BKCNH2GRIN1RXRA | |
| SCHEMBL29525735 | 0.76 | GRIN2B (0.37) | GRIN2BKCNH2GRIN1RXRA | |
| SCHEMBL365350 | 0.76 | GRIN2B (0.37) | GRIN2BKCNH2GRIN1RXRA | |
| SCHEMBL17502319 | 0.76 | CYP3A4 (0.46) | GRIN2BKCNH2GRIN1RXRA | |
| SCHEMBL16954400 | 0.74 | PDE4B (0.46) | — | |
| SCHEMBL12474308 | 0.73 | GRM2 (0.34) | — | |
| SCHEMBL22954131 | 0.73 | HTR2A (0.43) | GRIN2BKCNH2GRIN1 |
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-2621922-A1 | A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS | BASF SE (DE) | 2013-08-07 | — | — | EP | disclosed |
| WO-2012041858-A1 | A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS | BASF SE (DE) | 2012-04-05 | — | — | WO | disclosed |