Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 | 0.87 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.87 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.39 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.33 |
| ▸ | LDHA | P00338 | 1/20 | 0.33 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.33 |
| ▸ | TET2 | Q6N021 | 3/20 | 0.31 |
| ▸ | TET3 | O43151 | 1/20 | 0.31 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.31 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.30 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.30 |
| ▸ | GRM1 | Q13255 | 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 SCHEMBL7908946 | 1.00 | ALOX15 (0.87) | ALOX15HSD17B10LMNATSHRTP53 | |
| Itaconate SCHEMBL676003 | 0.93 | ALOX15 (0.74) | ALOX15HSD17B10LMNATSHRTP53 | |
| Itaconate SCHEMBL271206 | 0.93 | ALOX15 (0.74) | ALOX15HSD17B10LMNATSHRTP53 | |
| Itaconate SCHEMBL29663337 | 0.93 | ALOX15 (1.00) | ALOX15HSD17B10LMNATSHRKDM4E | |
| Itaconate SCHEMBL20487586 | 0.93 | ALOX15 (0.74) | ALOX15HSD17B10LMNATSHRTP53 | |
| Itaconate SCHEMBL3821311 | 0.93 | ALOX15 (1.00) | ALOX15HSD17B10LMNATSHRKDM4E | |
| Itaconate SCHEMBL676005 | 0.93 | ALOX15 (0.74) | ALOX15HSD17B10LMNATSHRTP53 | |
| Itaconate SCHEMBL8426854 | 0.91 | ALOX15 (0.95) | ALOX15HSD17B10LMNATSHRKDM4E | |
| Itaconate SCHEMBL28904531 | 0.88 | ALOX15 (0.67) | ALOX15HSD17B10LMNATSHRTP53 | |
| Itaconate SCHEMBL17204479 | 0.87 | ALOX15 (0.65) | ALOX15HSD17B10LMNATSHRTP53 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6197739-B1 | LOW FOAMING DETERGENT | ECOLAB INC. | 2001-03-06 | — | — | US | disclosed |
| US-6017872-A | Compositions and process for cleaning and finishing hard surfaces | ECOLAB INC. (US) | 2000-01-25 | — | — | US | disclosed |
| EP-0964056-A2 | Compositions and process for cleaning and finishing hard surfaces | ECOLAB INC. (US) | 1999-12-15 | — | — | EP | disclosed |
| US-5861366-A | NONIONIC SURFACTANT WITH BUILDERS AND WATER CONDITIONERS | ECOLAB INC. (US) | 1999-01-19 | — | — | US | disclosed |
| US-5858117-A | CLEANING FOOD PROCESSING UNIT HAVING PROTEINACEOUS RESIDUES BY CONTACTING WITH LOW FOAMING PROTEASE ENZYME DETERGENT TO REMOVE SOIL, DENATURING ENZYME WITH OXIDIZING AGENT | ECOLAB INC. (US) | 1999-01-12 | — | — | US | disclosed |
| EP-0778880-B1 | IMPROVED PROTEOLYTIC ENZYME CLEANER | ECOLAB INC (US) | 1998-10-14 | — | — | EP | disclosed |
| EP-0778880-A2 | IMPROVED PROTEOLYTIC ENZYME CLEANER | ECOLAB INC. (US) | 1997-06-18 | — | — | EP | disclosed |
| WO-1996006910-A2 | IMPROVED PROTEOLYTIC ENZYME CLEANER | ECOLAB INC. (US) | 1996-03-07 | — | — | WO | disclosed |