Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | GPR3 | P46089 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | SLC9A1 | P19634 | 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 | |
|---|---|---|---|---|
| SCHEMBL2013259 | 0.86 | GPR3 (0.39) | ACHEHSD11B1GPR3 | |
| SCHEMBL8907524 | 0.82 | PIK3R1 (0.33) | PIK3R1PIK3CAGRIN1GRIN2BSLC9A1 | |
| SCHEMBL2049079 | 0.80 | ACHE (0.39) | ACHEDHODHRECQL | |
| SCHEMBL2017429 | 0.79 | CYP11B1 (0.34) | HSD11B1PIK3R1PIK3CAGRIN1GRIN2B | |
| SCHEMBL9579904 | 0.79 | SLC9A1 (0.33) | PIK3R1PIK3CASLC9A1 | |
| SCHEMBL2049535 | 0.77 | HSD11B1 (0.35) | HSD11B1GPR3 | |
| SCHEMBL16020781 | 0.75 | ACHE (0.34) | ACHESLC9A1 | |
| SCHEMBL12815830 | 0.74 | HSD11B1 (0.34) | HSD11B1PIK3R1PIK3CASLC9A1 | |
| SCHEMBL3912578 | 0.74 | NPC1 (0.35) | ACHE | |
| SCHEMBL2051071 | 0.74 | ALDH1A1 (0.39) | ACHEDHODHGPR3SLC9A1 |
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 |