Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.30 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL1491043 | 0.81 | ACHE (0.41) | NFE2L2ALDH1A1MAOB | |
| SCHEMBL9521923 | 0.81 | NOTUM (0.35) | NFE2L2NOTUMCYP17A1CYP11B1CYP11B2 | |
| SCHEMBL2431368 | 0.79 | NOTUM (0.34) | NOTUMCYP17A1CYP11B1CYP11B2CES2 | |
| SCHEMBL102139 | 0.78 | TDP1 (0.36) | ALDH1A1CYP1A2MAOB | |
| SCHEMBL3977645 | 0.77 | NOTUM (0.35) | NOTUMPTGS2ALDH1A1 | |
| SCHEMBL2013006 | 0.77 | ACHE (0.35) | — | |
| SCHEMBL2154312 | 0.77 | AHR (0.34) | NOTUMPTGS2ALDH1A1CYP1A2 | |
| SCHEMBL2014176 | 0.76 | ACHE (0.50) | NFE2L2NOTUMRAPGEF4ALDH1A1GAA | |
| SCHEMBL2015248 | 0.75 | TRPA1 (0.43) | NOTUMCYP11B1CYP11B2PTGS2HSD17B1 | |
| SCHEMBL7049757 | 0.75 | ACHE (0.38) | ALDH1A1CYP1A2 |
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 4 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 |