Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL27684041 | 0.86 | TAAR1 (0.33) | SCN9AIDO1SLC6A2SLC6A4KCNH2 | |
| SCHEMBL7775162 | 0.80 | SCN9A (0.40) | SCN9ASLC6A2SLC6A4KCNH2KMT2A | |
| SCHEMBL900277 | 0.77 | SCN9A (0.34) | SCN9AIDO1SLC6A2SLC6A4KCNH2 | |
| SCHEMBL900045 | 0.75 | SCN9A (0.42) | SCN9ASLC6A2SLC6A4KCNH2KMT2A | |
| SCHEMBL12474345 | 0.74 | SLC6A2 (0.36) | SLC6A2SLC6A4KCNH2KMT2APOLB | |
| SCHEMBL3092861 | 0.71 | SLC6A2 (0.43) | SLC6A2SLC6A4KCNH2KMT2ASLC6A3 | |
| SCHEMBL23043168 | 0.71 | SCN9A (0.36) | SCN9ASLC6A2SLC6A4KMT2APOLB | |
| SCHEMBL900047 | 0.71 | ACHE (0.44) | SCN9ASLC6A2SLC6A4KCNH2 | |
| SCHEMBL1918390 | 0.71 | HTR1A (0.41) | SCN9ASLC6A2SLC6A4TAAR1SLC6A3 | |
| SCHEMBL6375248 | 0.71 | SCN9A (0.45) | SCN9ASLC6A2SLC6A4KCNH2KMT2A |
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 |