Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 2/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
| ▸ | LDHA | P00338 | 1/20 | 0.40 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.40 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.39 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.39 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.38 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.38 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.36 |
| ▸ | GABRD | O14764 | 1/20 | 0.36 |
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 SCHEMBL5875297 | 0.90 | ALOX15 (0.58) | ALOX15HSD17B10LDHASRRGRIK1 | |
| Itaconate SCHEMBL21630414 | 0.90 | ALOX15 (0.58) | ALOX15HSD17B10LDHASRRGRIK1 | |
| Itaconate SCHEMBL27584099 | 0.89 | ALOX15 (0.68) | ALOX15HSD17B10LDHASRRGRIK1 | |
| Itaconate SCHEMBL29886131 | 0.89 | — | — | |
| Itaconate SCHEMBL21523 | 0.89 | — | — | |
| Itaconate SCHEMBL286967 | 0.89 | ALOX15 (0.75) | ALOX15HSD17B10LDHASRRGRIK1 | |
| Itaconate SCHEMBL31537594 | 0.88 | ALOX15 (0.56) | ALOX15HSD17B10LDHASRRGRIK1 | |
| Itaconate SCHEMBL31392902 | 0.88 | ALOX15 (0.56) | ALOX15HSD17B10LDHASRRGRIK1 | |
| Itaconate SCHEMBL7645336 | 0.88 | ALOX15 (0.56) | ALOX15HSD17B10LDHASRRGRIK1 | |
| Itaconate SCHEMBL5875253 | 0.87 | ALOX15 (0.60) | ALOX15HSD17B10LDHASRRGRIK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105061510-A | Reaction type water-soluble fire retardant as well as preparation method and application thereof | QM EQUIP RES INST DEPT PLA | 2015-11-18 | — | — | CN | disclosed |