Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
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 | 0.83 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.83 |
| ▸ | CA1 | P00915 | 4/20 | 0.61 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.58 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.58 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.58 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.52 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.52 |
| ▸ | CPB2 | Q96IY4 | 5/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | HRH1 | P35367 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 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 | |
|---|---|---|---|---|
| 2-Ethylhexanoic Acid SCHEMBL5552480 | 1.00 | CA2 (0.83) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL11078336 | 1.00 | CA2 (0.83) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL5549520 | 1.00 | CA2 (0.83) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL1428268 | 0.94 | CA2 (0.80) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL5874675 | 0.94 | CA2 (0.87) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL546923 | 0.94 | CA2 (0.95) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL5874866 | 0.92 | CA2 (0.77) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL6741711 | 0.91 | CA2 (0.91) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL5874543 | 0.91 | CA2 (0.91) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL5695779 | 0.91 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0846142-A1 | INTERNAL MOLD RELEASE COMPOSITIONS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1998-06-10 | — | — | EP | disclosed |
| WO-1997008234-A1 | INTERNAL MOLD RELEASE COMPOSITIONS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1997-03-06 | — | — | WO | disclosed |