Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.36 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | TNKS | O95271 | 1/20 | 0.32 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.32 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL694819 | 0.85 | PTGS2 (0.43) | AKR1C3AKR1C2PTGS2PTGS1RAPGEF4 | |
| SCHEMBL2011911 | 0.79 | ACHE (0.36) | PDE3BPDE3APTGS2PTGS1TNKS2 | |
| SCHEMBL2428032 | 0.79 | PTGS2 (0.36) | AKR1C3AKR1C2PTGS2PTGS1ALOX5AP | |
| SCHEMBL29019414 | 0.79 | AKR1C3 (0.43) | AKR1C3AKR1C2PDE3BPDE3APTGS2 | |
| SCHEMBL2012935 | 0.78 | RAPGEF4 (0.32) | RAPGEF4 | |
| SCHEMBL2012945 | 0.77 | ACHE (0.39) | PDE3BPDE3ARAPGEF4TNKS2NISCH | |
| SCHEMBL2431534 | 0.76 | PDE3B (0.40) | AKR1C3AKR1C2PDE3BPDE3AALOX5AP | |
| SCHEMBL28758791 | 0.76 | ALDH1A1 (0.36) | RAPGEF4 | |
| SCHEMBL10939037 | 0.76 | AHR (0.35) | PTGS2 | |
| SCHEMBL2049865 | 0.75 | NISCH (0.35) | NISCH |
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 |