Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 3/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL28667348 | 0.87 | PGR (0.41) | PGRMAP4K4 | |
| SCHEMBL1939273 | 0.84 | ALDH1A1 (0.31) | — | |
| SCHEMBL2012498 | 0.84 | TAAR1 (0.46) | PGRNOTUM | |
| SCHEMBL2014607 | 0.83 | TNKS2 (0.39) | PGRMAP4K4 | |
| SCHEMBL2432908 | 0.78 | CYP17A1 (0.37) | PGRNOTUM | |
| SCHEMBL2011823 | 0.75 | PGR (0.33) | PGRMAP4K4NOTUM | |
| SCHEMBL161280 | 0.75 | — | — | |
| SCHEMBL6191317 | 0.75 | ABCB1 (0.35) | PGR | |
| SCHEMBL2154634 | 0.74 | MCL1 (0.41) | — | |
| SCHEMBL694507 | 0.74 | ALDH1A1 (0.41) | — |
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 |