Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Itaconate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
| ▸ | LDHA | P00338 | 1/20 | 0.40 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.40 |
| ▸ | TET2 | Q6N021 | 5/20 | 0.36 |
| ▸ | TET3 | O43151 | 1/20 | 0.36 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.36 |
| ▸ | FNTA | P49354 | 1/20 | 0.35 |
| ▸ | FNTB | P49356 | 1/20 | 0.35 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.34 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.34 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Itaconate SCHEMBL304510 | 0.97 | ALOX15 (0.65) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL216384 | 0.97 | ALOX15 (0.65) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL27940416 | 0.97 | ALOX15 (0.65) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL7730854 | 0.92 | ALOX15 (0.71) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL28769186 | 0.89 | ALOX15 (0.68) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL21523 | 0.89 | — | — | |
| Itaconate SCHEMBL29886131 | 0.89 | — | — | |
| Itaconate SCHEMBL286967 | 0.89 | ALOX15 (0.75) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL27319934 | 0.88 | ALOX15 (0.56) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL9068843 | 0.88 | ALOX15 (0.56) | ALOX15HSD17B10LDHASRRTET2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4524157-A | TENSILE AND COMPRESSIVE STRENGTHS; POLYETHERURETHANE COPOLYMERS | UNION CARBIDE CORPORATION (US) | 1985-06-18 | — | — | US | disclosed |
| EP-0141901-A2 | Adducts and polymer-polyols useful in the preparation of improved plastics, including polyurethane foams, elastomers | UNION CARBIDE CORPORATION (US) | 1985-05-22 | — | — | EP | disclosed |