Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.65 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.44 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.39 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| 2-Ethylhexanoic Acid SCHEMBL27457269 | 0.84 | CA2 (0.83) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL9763737 | 0.84 | CA2 (0.83) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL11651727 | 0.84 | CA2 (0.65) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL11502267 | 0.83 | CA2 (0.62) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL5372716 | 0.83 | CA2 (0.62) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL6313176 | 0.82 | CA2 (0.95) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| SCHEMBL31486638 | 0.81 | CA2 (0.50) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL11328410 | 0.81 | CA2 (0.61) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| Hexane SCHEMBL27547172 | 0.80 | NAAA (0.56) | NAAA | |
| 2-Ethylhexanoic Acid SCHEMBL8375903 | 0.80 | CA2 (1.00) | CA2MAPK1CA1SLC1A2SLC1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0351603-B1 | Transvinylation reaction | UNION CARBIDE CORP (US) | 1994-12-07 | — | — | EP | claimed |
| EP-0351603-A2 | Transvinylation reaction | UNION CARBIDE CORPORATION (US) | 1990-01-24 | — | — | EP | claimed |
| EP-0453492-A1 | VARNISH BINDER. | HENKEL KGAA (DE) | 1991-10-30 | — | — | EP | disclosed |
| WO-1990008175-A1 | VARNISH BINDER | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1990-07-26 | — | — | WO | disclosed |