Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.88 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 6/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.54 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
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 SCHEMBL37454 | 0.98 | CA2 (0.91) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL26222 | 0.98 | CA2 (0.91) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL21569275 | 0.98 | CA2 (0.91) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL28837492 | 0.98 | CA2 (0.91) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL11119855 | 0.96 | CA2 (0.81) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL5554533 | 0.96 | CA2 (0.88) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL22301629 | 0.96 | CA2 (0.88) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL1434321 | 0.96 | CA2 (0.88) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL2119249 | 0.96 | CA2 (0.96) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL15094118 | 0.96 | CA2 (0.88) | CA2MAPK1CA1CYP3A4TSHR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0053432-B1 | ACCELERATOR SYSTEMS FOR POLYESTER RESIN COMPOSITIONS | Nuodex Inc. (US) | 1984-06-27 | — | — | EP | disclosed |
| EP-0052928-B1 | WATER-BORNE SURFACE-COATING COMPOSITIONS CONTAINING COMPLEXED COBALT DRIERS | Nuodex Inc. (US) | 1984-04-11 | — | — | EP | disclosed |
| US-4389328-A | Drier systems for water-borne surface-coating compositions | NUODEX, INC. (US) | 1983-06-21 | — | — | US | disclosed |
| EP-0053432-A1 | Accelerator systems for polyester resin compositions | Nuodex Inc. (US) | 1982-06-09 | — | — | EP | disclosed |
| EP-0052928-A1 | Water-borne surface-coating compositions containing complexed cobalt driers | Nuodex Inc. (US) | 1982-06-02 | — | — | EP | disclosed |
| US-4329263-A | Accelerator systems for polyester resin compositions | TENNECO CHEMICALS, INC. (US) | 1982-05-11 | — | — | US | disclosed |
| US-4311625-A | Water-borne surface-coating compositions containing complexed cobalt driers | TENNECO CHEMICALS, INC. (US) | 1982-01-19 | — | — | US | disclosed |