Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | SCN8A | Q9UQD0 | 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 | |
|---|---|---|---|---|
| SCHEMBL900984 | 0.77 | SCN9A (0.34) | SCN9ASLC6A2SLC6A4KCNH2SLC6A3 | |
| SCHEMBL12474311 | 0.77 | KLKB1 (0.35) | SLC6A2SLC6A4KCNH2SLC6A3 | |
| SCHEMBL7775162 | 0.75 | SCN9A (0.40) | SCN9ASLC6A2SLC6A4KCNH2SLC6A3 | |
| SCHEMBL27684041 | 0.75 | TAAR1 (0.33) | SCN9ASLC6A2SLC6A4KCNH2IDO1 | |
| SCHEMBL900815 | 0.73 | SLC6A2 (0.43) | SLC6A2SLC6A4KCNH2SLC6A3ALDH1A1 | |
| SCHEMBL12474306 | 0.73 | GPR6 (0.36) | ALDH1A1 | |
| SCHEMBL5316677 | 0.72 | TAAR1 (0.48) | IDO1ALDH1A1 | |
| SCHEMBL900047 | 0.71 | ACHE (0.44) | SCN9ASLC6A2SLC6A4KCNH2SCN8A | |
| SCHEMBL12474349 | 0.70 | CHRM2 (0.35) | ALDH1A1 | |
| SCHEMBL900030 | 0.70 | SLC6A4 (0.35) | SLC6A2SLC6A4KCNH2SLC6A3IDO1 |
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 |