Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 2/20 | 0.36 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CPA1 | P15085 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL19029451 | 0.78 | GRIK1 (0.35) | GRIK1GRIK2CYP2C19CPA1 | |
| SCHEMBL19285220 | 0.75 | CPN1 (0.41) | GRIK1GRIK2CYP2C19CPA1 | |
| SCHEMBL22229838 | 0.73 | CPN1 (0.37) | GRIK1GRIK2CYP2C19CPA1 | |
| SCHEMBL3070889 | 0.72 | — | — | |
| SCHEMBL3068352 | 0.72 | — | — | |
| SCHEMBL8599672 | 0.72 | CYP1A2 (0.39) | TDP1 | |
| SCHEMBL3068358 | 0.72 | — | — | |
| SCHEMBL3070892 | 0.72 | — | — | |
| SCHEMBL3062278 | 0.72 | — | — | |
| SCHEMBL3374413 | 0.72 | CPN1 (0.39) | GRIK1GRIK2CYP2C19CPA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20100261251-A1 | MICROBIAL KINETIC RESOLUTION OF ETHYL-3,4-EPOXYBUTYRATE | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2010-10-14 | — | — | US | disclosed |
| EP-2179050-A1 | MICROBIAL KINETIC RESOLUTION OF ETHYL-3,4-EPOXYBUTYRATE | Agency for Science, Technology And Research (SG) | 2010-04-28 | — | — | EP | disclosed |
| WO-2009008834-A1 | MICROBIAL KINETIC RESOLUTION OF ETHYL-3,4-EPOXYBUTYRATE | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2009-01-15 | — | — | WO | disclosed |
| EP-0232752-A1 | Process for the preparation of oxiranylcarbonic esters | BASF Aktiengesellschaft (DE) | 1987-08-19 | — | — | EP | disclosed |