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 | 3/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | CA12 | O43570 | 3/20 | 0.53 |
| ▸ | CA9 | Q16790 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.53 |
| ▸ | CA4 | P22748 | 1/20 | 0.53 |
| ▸ | CA6 | P23280 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Salicylic Acid SCHEMBL23111346 | 0.91 | ALDH1A1 (0.53) | CA2MAPK1ALDH1A1KDM4ECA12 | |
| Phthalic Acid SCHEMBL27649796 | 0.91 | CA2 (0.67) | CA2MAPK1ALDH1A1KDM4ECA12 | |
| Valproic Acid SCHEMBL23111339 | 0.84 | ALDH1A1 (0.60) | CA2ALDH1A1KDM4ECA12CA9 | |
| 2-Ethylhexanoic Acid SCHEMBL8889306 | 0.84 | CA2 (0.57) | CA2MAPK1ALDH1A1KDM4ECA12 | |
| Salicylic Acid SCHEMBL27397881 | 0.84 | ALDH1A1 (0.55) | CA2ALDH1A1KDM4ECA12CA9 | |
| Salicylic Acid SCHEMBL6132155 | 0.84 | ALDH1A1 (0.55) | CA2ALDH1A1KDM4ECA12CA9 | |
| SCHEMBL14996265 | 0.83 | LMNA (0.56) | CA2MAPK1ALDH1A1KDM4ESMN1; SMN2 | |
| Salicylic Acid SCHEMBL294304 | 0.82 | ALDH1A1 (0.72) | CA2ALDH1A1KDM4ECA12CA9 | |
| Salicylic Acid SCHEMBL8621859 | 0.82 | ALDH1A1 (0.72) | CA2MAPK1ALDH1A1KDM4ECA12 | |
| 2-Ethylhexanoic Acid SCHEMBL6130365 | 0.81 | CA2 (0.67) | CA2MAPK1ALDH1A1SMN1; SMN2CA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2669315-B1 | POLYANILINE COMPOSITE, METHOD FOR PRODUCING SAME, AND COMPOSITION | IDEMITSU KOSAN CO (JP) | 2021-06-02 | — | — | EP | claimed |