Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | GRIK1 known ✓ | P39086 | 1/20 | 0.39 |
| ▸ | GRIK2 known ✓ | Q13002 | 1/20 | 0.39 |
| ▸ | 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 |
| ▸ | 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 SCHEMBL27769782 | 0.97 | ALOX15 (0.68) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL21523 | 0.97 | — | — | |
| Itaconate SCHEMBL286967 | 0.97 | ALOX15 (0.75) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL29886131 | 0.97 | — | — | |
| Itaconate SCHEMBL28352485 | 0.94 | ALOX15 (0.65) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL10757202 | 0.94 | ALOX15 (0.71) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL18554417 | 0.94 | ALOX15 (0.71) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL7518254 | 0.94 | ALOX15 (0.71) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL1888723 | 0.94 | ALOX15 (0.71) | ALOX15HSD17B10LDHASRRTET2 | |
| Itaconate SCHEMBL8074438 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1013466-A2 | Intermediate ink-receiver sheet for transfer printing | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-06-28 | — | — | EP | claimed |
| CN-111004350-B | Preparation method of acrylonitrile-itaconic acid copolymer standard substance | 山东非金属材料研究所 | 2021-06-04 | — | — | CN | disclosed |
| CN-111004350-A | Preparation method of acrylonitrile-itaconic acid copolymer standard substance | 山东非金属材料研究所 | 2020-04-14 | — | — | CN | disclosed |
| US-20170165247-A1 | CRYSTALLINE COMPOUNDS OF DABIGATRAN ETEXILATE | OLON S.P.A. (IT) | 2017-06-15 | — | — | US | disclosed |
| EP-3169677-A1 | CRYSTALLINE COMPOUNDS OF DABIGATRAN ETEXILATE | OLON S.p.A. (IT) | 2017-05-24 | — | — | EP | disclosed |
| WO-2017077440-A1 | NOVEL PHARMACEUTICAL COMPOSITIONS COMPRISING DABIGATRAN | OLON S.P.A. (IT) | 2017-05-11 | — | — | WO | disclosed |
| WO-2016009405-A1 | CRYSTALLINE COMPOUNDS OF DABIGATRAN ETEXILATE | SIFAVITOR S.R.L. (IT) | 2016-01-21 | — | — | WO | disclosed |
| EP-1013466-A2 | Intermediate ink-receiver sheet for transfer printing | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-06-28 | — | — | EP | disclosed |
| US-T995007-I4 | Coated film assemblies | BEXFORD LIMITED (GB) | 1980-06-03 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20170165247-A1 | CRYSTALLINE COMPOUNDS OF DABIGATRAN ETEXILATE | VKORC1, PROC, F2 | GRIK1 4250/4885GRIK2 4549/4885ALOX15 1666/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.