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 | 0.84 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | CA1 | P00915 | 7/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.40 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 SCHEMBL197199 | 0.96 | CA2 (0.91) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL30776958 | 0.96 | CA2 (0.91) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL6307566 | 0.96 | CA2 (0.91) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL11415998 | 0.96 | CA2 (0.91) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL27603 | 0.96 | CA2 (0.91) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL29246380 | 0.94 | CA2 (0.88) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL9580068 | 0.94 | CA2 (0.88) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL9413782 | 0.94 | CA2 (0.96) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL9579941 | 0.92 | CA2 (0.84) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL11757979 | 0.92 | CA2 (0.84) | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107922557-B | Hydrogenated block copolymer, polypropylene resin composition, and molded article | 旭化成株式会社 | 2020-07-31 | — | — | CN | disclosed |
| US-10703848-B2 | Hydrogenated block copolymer, polypropylene resin composition, and molding | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2020-07-07 | — | — | US | disclosed |
| EP-2993206-B1 | TITANIUM OXIDE-CONTAINING COMPOSITION, POLYMER COMPOSITION, AND MOLDED BODY | ASAHI CHEMICAL IND (JP) | 2018-09-12 | — | — | EP | disclosed |
| US-20180244822-A1 | Hydrogenated Block Copolymer, Polypropylene Resin Composition, and Molding | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2018-08-30 | — | — | US | disclosed |
| EP-3348591-A1 | HYDROGENATED BLOCK COPOLYMER, POLYPROPYLENE RESIN COMPOSITION, AND MOLDED ARTICLE | Asahi Kasei Kabushiki Kaisha (JP) | 2018-07-18 | — | — | EP | disclosed |
| US-9745444-B2 | Composition containing oxide of titanium, polymer composition, and molded article | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2017-08-29 | — | — | US | disclosed |
| US-20160068653-A1 | Composition Containing Oxide of Titanium, Polymer Composition, and Molded Article | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2016-03-10 | — | — | US | disclosed |
| EP-2993206-A1 | TITANIUM OXIDE-CONTAINING COMPOSITION, POLYMER COMPOSITION, AND MOLDED BODY | Asahi Kasei Chemicals Corporation (JP) | 2016-03-09 | — | — | EP | disclosed |