Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.68 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.57 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.57 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.52 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.52 |
| ▸ | HRH1 | P35367 | 1/20 | 0.52 |
| ▸ | DRD3 | P35462 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.50 |
| ▸ | GRIK2 | Q13002 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 4/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL13477877 | 1.00 | CA2 (0.68) | CA2MAPK1SLC1A2SLC1A1SLC1A3 | |
| SCHEMBL31024509 | 0.91 | GRIK1 (0.59) | CA2MAPK1SLC1A2SLC1A1SLC1A3 | |
| SCHEMBL28598075 | 0.91 | GRIK1 (0.59) | CA2MAPK1SLC1A2SLC1A1SLC1A3 | |
| SCHEMBL31355412 | 0.91 | GRIK1 (0.59) | CA2MAPK1SLC1A2SLC1A1SLC1A3 | |
| SCHEMBL28061818 | 0.91 | GRIK1 (0.59) | CA2MAPK1SLC1A2SLC1A1SLC1A3 | |
| SCHEMBL5870376 | 0.86 | — | — | |
| SCHEMBL5870378 | 0.86 | — | — | |
| SCHEMBL593706 | 0.85 | CA2 (0.81) | CA2MAPK1SLC1A2SLC1A1SLC1A3 | |
| SCHEMBL321082 | 0.84 | CA2 (0.65) | CA2MAPK1SLC1A2SLC1A1SLC1A3 | |
| 2-Ethylhexanoic Acid SCHEMBL21054918 | 0.84 | CA2 (0.95) | CA2MAPK1SLC1A2SLC1A1SLC1A3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2282991-B1 | METHOD FOR THE PRODUCTION OF 1,4-BENZOTHIEPIN-1,1-DIOXIDE DERIVATIVES | SANOFI AVENTIS DEUTSCHLAND (DE) | 2018-01-24 | — | — | EP | disclosed |