Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.31 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
| ▸ | NISCH | Q9Y2I1 | 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 | |
|---|---|---|---|---|
| SCHEMBL8525969 | 0.87 | NISCH (0.42) | NISCH | |
| SCHEMBL1116582 | 0.82 | GABRP (0.38) | NOTUMMAOB | |
| SCHEMBL9521923 | 0.82 | NOTUM (0.35) | NOTUMCYP17A1CYP11B1CYP11B2CES2 | |
| SCHEMBL2015248 | 0.80 | TRPA1 (0.43) | NOTUMCYP11B1CYP11B2HSD17B1HSD17B2 | |
| SCHEMBL436851 | 0.79 | AHR (0.38) | NOTUM | |
| SCHEMBL2434582 | 0.79 | NFE2L2 (0.35) | NOTUMCYP17A1CYP11B1CYP11B2CES2 | |
| SCHEMBL2013527 | 0.78 | GABRP (0.30) | — | |
| SCHEMBL9804988 | 0.78 | AHR (0.50) | NOTUM | |
| SCHEMBL4466473 | 0.78 | MAPK1 (0.33) | MAOB | |
| SCHEMBL2012652 | 0.78 | GABRP (0.43) | NOTUMNISCH |
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 |