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 | |
|---|---|---|---|---|
| ▸ | KEAP1 known ✓ | Q14145 | 1/20 | 0.48 |
| ▸ | HCAR2 | Q8TDS4 | 10/20 | 0.63 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.57 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | GFPT1 | Q06210 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Dimethyl Maleate SCHEMBL28166828 | 0.94 | ALOX15 (0.57) | HCAR2ALOX15HSD17B10KEAP1NFE2L2 | |
| Itaconate SCHEMBL28904531 | 0.88 | ALOX15 (0.67) | HCAR2ALOX15HSD17B10KEAP1NFE2L2 | |
| Monomethyl Fumarate SCHEMBL8952278 | 0.87 | HCAR2 (0.61) | HCAR2ALOX15HSD17B10KEAP1NFE2L2 | |
| Itaconate SCHEMBL20487589 | 0.87 | ALOX15 (0.59) | HCAR2ALOX15HSD17B10KEAP1NFE2L2 | |
| Itaconate SCHEMBL676005 | 0.86 | ALOX15 (0.74) | HCAR2ALOX15HSD17B10ALDH1A1KDM4E | |
| Itaconate SCHEMBL676003 | 0.86 | ALOX15 (0.74) | HCAR2ALOX15HSD17B10ALDH1A1KDM4E | |
| Itaconate SCHEMBL271206 | 0.86 | ALOX15 (0.74) | HCAR2ALOX15HSD17B10ALDH1A1KDM4E | |
| Itaconate SCHEMBL20487586 | 0.86 | ALOX15 (0.74) | HCAR2ALOX15HSD17B10ALDH1A1KDM4E | |
| Itaconate SCHEMBL28072800 | 0.82 | ALOX15 (0.63) | HCAR2ALOX15HSD17B10ALDH1A1MAPT | |
| Itaconate SCHEMBL18396077 | 0.81 | HSD17B10 (0.74) | HCAR2ALOX15HSD17B10KEAP1NFE2L2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107073990-B | Ink jet recording method and ink jet recording medium | 日本制纸株式会社 | 2019-05-17 | — | — | CN | disclosed |
| CN-107073990-A | Ink jet recording method and ink jet recording medium | 日本制纸株式会社 | 2017-08-18 | — | — | CN | disclosed |