Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 2/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.59 |
| ▸ | HCAR2 | Q8TDS4 | 10/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.30 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 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 SCHEMBL676005 | 0.88 | ALOX15 (0.74) | ALOX15HSD17B10HCAR2TSHRTP53 | |
| Itaconate SCHEMBL676003 | 0.88 | ALOX15 (0.74) | ALOX15HSD17B10HCAR2TSHRTP53 | |
| Itaconate SCHEMBL20487586 | 0.88 | ALOX15 (0.74) | ALOX15HSD17B10HCAR2TSHRTP53 | |
| Itaconate SCHEMBL271206 | 0.88 | ALOX15 (0.74) | ALOX15HSD17B10HCAR2TSHRTP53 | |
| Itaconate SCHEMBL28166830 | 0.87 | HCAR2 (0.63) | ALOX15HSD17B10HCAR2TSHRTP53 | |
| SCHEMBL17010769 | 0.83 | ALOX15 (0.42) | ALOX15HSD17B10HCAR2TSHRTP53 | |
| SCHEMBL28080246 | 0.83 | ALOX15 (0.42) | ALOX15HSD17B10HCAR2TSHRTP53 | |
| SCHEMBL28080156 | 0.83 | ALOX15 (0.42) | ALOX15HSD17B10HCAR2TSHRTP53 | |
| Itaconate SCHEMBL17204479 | 0.82 | ALOX15 (0.65) | ALOX15HSD17B10HCAR2TSHRTP53 | |
| Itaconate SCHEMBL7908952 | 0.82 | ALOX15 (0.87) | ALOX15HSD17B10HCAR2TSHRTP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018160911-A1 | SUSTAINABLE, ENERGY-CURABLE POLYESTER POLYOLS AND COATINGS OR RIGID FOAMS THEREFROM | RESINATE MATERIALS GROUP, INC. (US) | 2018-09-07 | — | — | WO | disclosed |