Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.31 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL17514475 | 0.86 | — | — | |
| SCHEMBL11302129 | 0.83 | HSD11B1 (0.30) | HSD11B1 | |
| SCHEMBL17514835 | 0.83 | HSD11B1 (0.33) | HSD11B1 | |
| SCHEMBL17515018 | 0.83 | CYP11B1 (0.32) | — | |
| SCHEMBL2049471 | 0.81 | HSD11B1 (0.46) | TRPA1HSD11B1PDK2KCNN4 | |
| SCHEMBL2437985 | 0.80 | HSD11B1 (0.38) | TRPA1HSD11B1SLC22A12PDK2KCNN4 | |
| SCHEMBL17514464 | 0.79 | KIF11 (0.41) | SLC22A12 | |
| SCHEMBL30568365 | 0.75 | TRPA1 (0.47) | TRPA1HSD11B1PTPN1SLC22A12PDK2 | |
| SCHEMBL2433532 | 0.74 | NR1H2 (0.35) | — | |
| SCHEMBL2426847 | 0.74 | CYP11B2 (0.43) | PTPN1PDK2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013182433-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2013-12-12 | — | — | WO | disclosed |
| EP-2547687-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2013-01-23 | — | — | EP | disclosed |
| EP-2513067-A1 | METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF | BASF SE (DE) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011113820-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2011-09-22 | — | — | WO | disclosed |
| WO-2011073145-A1 | METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF | BASF SE (DE) | 2011-06-23 | — | — | WO | disclosed |