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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 10/20 | 0.88 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.59 |
| ▸ | CA1 | P00915 | 7/20 | 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 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 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 SCHEMBL29657313 | 0.98 | CA2 (0.91) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL133702 | 0.98 | CA2 (0.91) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL17272319 | 0.96 | CA2 (0.88) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL29246380 | 0.96 | CA2 (0.88) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL2986394 | 0.94 | CA2 (0.84) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL23802667 | 0.93 | CA2 (0.91) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL2787776 | 0.93 | CA2 (0.91) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL6305613 | 0.93 | CA2 (0.91) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL20582677 | 0.93 | CA2 (0.91) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL21569275 | 0.93 | CA2 (0.91) | 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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230226807-A1 | Polymer Composites and Methods of Making the Same | TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION | 2023-07-20 | — | — | US | disclosed |
| WO-2021226424-A1 | POLYMER COMPOSITES AND METHODS OF MAKING THE SAME | TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2021-11-11 | — | — | WO | disclosed |
| EP-3436537-B1 | ANAEROBICALLY CURABLE (METH)ACRYLATE COMPOSITIONS | Henkel IP & Holding GmbH (DE) | 2021-09-29 | — | — | EP | disclosed |
| US-11111416-B2 | Anaerobically curable (meth)acrylate compositions | Henkel IP & Holding GmbH (DE) | 2021-09-07 | — | — | US | disclosed |
| EP-3402855-B1 | CURE OF ANAEROBIC COMPOSITIONS | Henkel IP & Holding GmbH (DE) | 2021-07-14 | — | — | EP | disclosed |
| WO-2020229096-A1 | METHOD FOR BONDING THREE-DIMENSIONAL ARTICLES MADE BY ADDITIVE MANUFACTURING | Henkel IP & Holding GmbH (DE) | 2020-11-19 | — | — | WO | disclosed |
| US-10414948-B2 | Cure of anaerobic compositions | Henkel IP & Holding GmbH (DE) | 2019-09-17 | — | — | US | disclosed |
| EP-3436537-A1 | ANAEROBICALLY CURABLE (METH)ACRYLATE COMPOSITIONS | Henkel IP & Holding GmbH (DE) | 2019-02-06 | — | — | EP | disclosed |
| US-20190031921-A1 | ANAEROBICALLY CURABLE (METH)ACRYLATE COMPOSITIONS | HENKEL AG & CO. KGAA (DE) | 2019-01-31 | — | — | US | disclosed |
| EP-3402855-A1 | CURE OF ANAEROBIC COMPOSITIONS | Henkel IP & Holding GmbH (DE) | 2018-11-21 | — | — | EP | disclosed |
| US-20180320027-A1 | CURE OF ANAEROBIC COMPOSITIONS | HENKEL AG & CO. KGAA (DE) | 2018-11-08 | — | — | US | disclosed |
| WO-2017168001-A1 | ANAEROBICALLY CURABLE (METH)ACRYLATE COMPOSITIONS | Henkel IP & Holding GmbH (DE) | 2017-10-05 | — | — | WO | disclosed |
| WO-2017121824-A1 | CURE OF ANAEROBIC COMPOSITIONS | Henkel IP & Holding GmbH (DE) | 2017-07-20 | — | — | WO | disclosed |