Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of 2-Ethylhexanoic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.77 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.77 |
| ▸ | CA1 | P00915 | 4/20 | 0.57 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.55 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.55 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.55 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.49 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.49 |
| ▸ | CPB2 | Q96IY4 | 5/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
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 SCHEMBL27743615 | 0.95 | CA2 (0.69) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL6392621 | 0.93 | CA2 (0.71) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL8734919 | 0.92 | CA2 (0.83) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL5552480 | 0.92 | CA2 (0.83) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL11078336 | 0.92 | CA2 (0.83) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL5549520 | 0.92 | CA2 (0.83) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL1428268 | 0.90 | CA2 (0.80) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL10889547 | 0.90 | CA2 (0.62) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL5046747 | 0.90 | CA2 (0.87) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL229027 | 0.90 | CA2 (0.87) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7128976-B2 | Composition for film formation, method of film formation, and silica-based film | JSR CORPORATION (JP) | 2006-10-31 | — | — | US | disclosed |
| US-20030091838-A1 | Composition for film formation, method of film formation, and silica-based film | JSR CORPORATION (JP) | 2003-05-15 | — | — | US | disclosed |