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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.74 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.74 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.45 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.37 |
| ▸ | TET2 | Q6N021 | 4/20 | 0.34 |
| ▸ | TET3 | O43151 | 1/20 | 0.34 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.34 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.33 |
| ▸ | GABRR2 | P28476 | 2/20 | 0.33 |
| ▸ | BLM | P54132 | 2/20 | 0.33 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.33 |
| ▸ | GRIK2 | Q13002 | 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 | |
|---|---|---|---|---|
| Itaconate SCHEMBL676005 | 1.00 | ALOX15 (0.74) | ALOX15HSD17B10TSHRTP53EGLN1 | |
| Itaconate SCHEMBL676003 | 1.00 | ALOX15 (0.74) | ALOX15HSD17B10TSHRTP53EGLN1 | |
| Itaconate SCHEMBL271206 | 1.00 | ALOX15 (0.74) | ALOX15HSD17B10TSHRTP53EGLN1 | |
| Itaconate SCHEMBL7908946 | 0.93 | ALOX15 (0.87) | ALOX15HSD17B10TSHRTP53EGLN1 | |
| Itaconate SCHEMBL17204476 | 0.93 | ALOX15 (0.65) | ALOX15HSD17B10TSHRTP53EGLN1 | |
| Itaconate SCHEMBL7908952 | 0.93 | ALOX15 (0.87) | ALOX15HSD17B10TSHRTP53EGLN1 | |
| Itaconate SCHEMBL17204479 | 0.93 | ALOX15 (0.65) | ALOX15HSD17B10TSHRTP53EGLN1 | |
| Itaconate SCHEMBL28072800 | 0.91 | ALOX15 (0.63) | ALOX15HSD17B10TSHRTP53EGLN1 | |
| Itaconate SCHEMBL7513296 | 0.89 | ALOX15 (0.71) | ALOX15HSD17B10TSHREGLN1KDM4E | |
| Itaconate SCHEMBL20487589 | 0.88 | ALOX15 (0.59) | ALOX15HSD17B10TSHRTP53EGLN1 |
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 |