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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | FNTA | P49354 | 1/20 | 0.32 |
| ▸ | FNTB | P49356 | 1/20 | 0.32 |
| ▸ | TET2 | Q6N021 | 4/20 | 0.32 |
| ▸ | TET3 | O43151 | 1/20 | 0.32 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.32 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.31 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.31 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 SCHEMBL5874896 | 1.00 | ALOX15 (0.56) | ALOX15HSD17B10KDM4EALDH1A1LDHA | |
| Itaconate SCHEMBL27940416 | 0.85 | ALOX15 (0.65) | ALOX15HSD17B10KDM4ELDHASRR | |
| Itaconate SCHEMBL216384 | 0.85 | ALOX15 (0.65) | ALOX15HSD17B10KDM4ELDHASRR | |
| Itaconate SCHEMBL304510 | 0.85 | ALOX15 (0.65) | ALOX15HSD17B10KDM4ELDHASRR | |
| Itaconate SCHEMBL10967892 | 0.83 | ALOX15 (0.62) | ALOX15HSD17B10KDM4ELDHASRR | |
| Itaconate SCHEMBL21523 | 0.83 | — | — | |
| Itaconate SCHEMBL29886131 | 0.83 | — | — | |
| Itaconate SCHEMBL286967 | 0.83 | ALOX15 (0.75) | ALOX15HSD17B10KDM4ELDHASRR | |
| SCHEMBL5086166 | 0.82 | ALOX15 (0.35) | ALOX15HSD17B10KDM4EALDH1A1HTT | |
| Itaconate SCHEMBL5091755 | 0.81 | ALOX15 (0.60) | ALOX15HSD17B10KDM4ELDHASRR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111051462-B | Thermally expandable microcapsule, process for producing the same, and foam-molded article | 日油株式会社 | 2023-02-17 | — | — | CN | disclosed |
| US-20200230562-A1 | HEAT-EXPANDABLE MICROCAPSULES, PRODUCTION METHOD THEREFOR, AND FOAMED MOLDED ARTICLE | NOF CORPORATION (JP) | 2020-07-23 | — | — | US | disclosed |
| EP-3680306-A1 | HEAT-EXPANDABLE MICROCAPSULES, PRODUCTION METHOD THEREFOR, AND FOAMED MOLDED ARTICLE | NOF Corporation (JP) | 2020-07-15 | — | — | EP | disclosed |
| CN-111051462-A | Thermally expandable microcapsule, process for producing the same, and foam-molded article | 日油株式会社 | 2020-04-21 | — | — | CN | disclosed |
| CN-101891901-A | Method for foaming polymer microspheres with two-component or multi-component foaming agent under low pressure | UNIV FUDAN | 2010-11-24 | — | — | CN | disclosed |