Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.36 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | GCLC | P48506 | 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 | |
|---|---|---|---|---|
| SCHEMBL3946972 | 0.82 | CA2 (0.46) | CA2MAPK1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL11481771 | 0.78 | GABRR1 (0.33) | — | |
| Chloromethane SCHEMBL28143162 | 0.76 | CA2 (0.64) | CA2MAPK1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL3914888 | 0.74 | CA2 (0.56) | CA2MAPK1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL10976432 | 0.73 | TSHR (0.31) | — | |
| SCHEMBL25670941 | 0.73 | CA2 (0.47) | CA2MAPK1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL8759313 | 0.73 | HMGCR (0.39) | CHRM1ADRA1ATDP1 | |
| Trichloroacetic Acid SCHEMBL6132326 | 0.72 | CA2 (0.54) | CA2MAPK1SLC1A3SLC1A2SLC1A1 | |
| Benzene SCHEMBL28308867 | 0.71 | CA2 (0.64) | CA2MAPK1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL6114 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0002477-B1 | PROCESS FOR PREPARING 1,1-DIHALO-4-METHYL-1,3-PENTADIENES | BAYER AG (DE) | 1980-08-06 | — | — | EP | disclosed |
| EP-0002477-A1 | Process for preparing 1,1-dihalo-4-methyl-1,3-pentadienes | BAYER AG (DE) | 1979-06-27 | — | — | EP | disclosed |