Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
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 | 1/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.71 |
| ▸ | LDHA | P00338 | 1/20 | 0.47 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.47 |
| ▸ | TET2 | Q6N021 | 5/20 | 0.40 |
| ▸ | TET3 | O43151 | 1/20 | 0.40 |
| ▸ | TET1 | Q8NFU7 | 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 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.32 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.32 |
| ▸ | OR51E2 | Q9H255 | 2/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | SLC13A3 | Q8WWT9 | 1/20 | 0.30 |
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 SCHEMBL286967 | 0.97 | ALOX15 (0.75) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL29886131 | 0.97 | — | — | |
| Itaconate SCHEMBL21523 | 0.97 | — | — | |
| Itaconate SCHEMBL10757202 | 0.94 | ALOX15 (0.71) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL2397428 | 0.94 | ALOX15 (0.71) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL1888723 | 0.94 | ALOX15 (0.71) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL18554417 | 0.94 | ALOX15 (0.71) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL6552810 | 0.94 | ALOX15 (0.71) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL9244093 | 0.94 | ALOX15 (0.71) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL7518254 | 0.94 | ALOX15 (0.71) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6100339-A | COMPRISING A POLYMER WHICH CONTAINS A CYCLIC MONOMER UNIT AND WHICH CONTAINS A REACTIVE GROUP, AND A RESIN COMPOSITION COMPRISING THE SAME; DURABILITY, CHEMICAL RESISTANCE | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 2000-08-08 | — | — | US | disclosed |