Known targets — ChEMBL curated mechanism
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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TET2 | Q6N021 | 5/20 | 0.40 |
| ▸ | TET3 | O43151 | 1/20 | 0.40 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.40 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.34 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.34 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.34 |
| ▸ | LDHA | P00338 | 1/20 | 0.33 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.33 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 SCHEMBL5394440 | 1.00 | ALOX15 (0.54) | ALOX15HSD17B10TDP1TET2TET3 | |
| Itaconate SCHEMBL29527662 | 1.00 | ALOX15 (0.54) | ALOX15HSD17B10TDP1TET2TET3 | |
| Itaconate SCHEMBL29043144 | 0.89 | ALOX15 (0.56) | ALOX15HSD17B10TET2TET3TET1 | |
| Itaconate SCHEMBL28350321 | 0.89 | ALOX15 (0.60) | ALOX15HSD17B10TDP1TET2TET3 | |
| Itaconate SCHEMBL29527673 | 0.86 | ALOX15 (0.48) | ALOX15HSD17B10TET2TET3TET1 | |
| Itaconate SCHEMBL20506726 | 0.85 | ALOX15 (0.52) | ALOX15HSD17B10TET2TET3TET1 | |
| Itaconate SCHEMBL28702413 | 0.85 | ALOX15 (0.52) | ALOX15HSD17B10TET2TET3TET1 | |
| Itaconate SCHEMBL2722970 | 0.84 | ALOX15 (0.56) | ALOX15HSD17B10TET2TET3TET1 | |
| Itaconate SCHEMBL5875304 | 0.84 | ALOX15 (0.56) | ALOX15HSD17B10TET2TET3TET1 | |
| Itaconate SCHEMBL28065371 | 0.84 | ALOX15 (0.56) | ALOX15HSD17B10TET2TET3TET1 |
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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6512053-B1 | Employed in manufacturing tire tread formulations that have rolling resistance and treadwear characteristics that are similar to those made with solution SBR but with improved traction characteristics. | THE GOODYEAR TIRE & RUBBER COMPANY | 2003-01-28 | — | — | US | claimed |
| US-6455655-B1 | FOR TIRE TREADS; ROLLING RESISTANCE, TREADWEAR, WITH IMPROVED TRACTION; THE RUBBER INCLUDES HYDROXYALKYL ACRYLATE MONOMER, AND HAS SPECIFIED LIGHT SCATTERING TO REFRACTIVE INDEX RATIO | THE GOODYEAR TIRE & RUBBER COMPANY | 2002-09-24 | — | — | US | claimed |
| US-20020061955-A1 | Emulsion styrene-butadiene rubber | GOODYEAR TIRE & RUBBER COMPANY, THE | 2002-05-23 | — | — | US | claimed |
| US-6111045-A | YIELDS A VULCANIZED RUBBER SHOWING IMPROVEMENTS IN HEAT BUILD-UP, TENSILE STRENGTH, ABRASION RESISTANCE AND PROCESSABILITY | NIPPON ZEON CO. LTD. (JP) | 2000-08-29 | — | — | US | claimed |
| US-3941912-A | Copolymer latex and paper coating composition thereof | SUMITOMO NAUGATUCK CO., LTD. (JA) | 1976-03-02 | — | — | US | claimed |
| US-10597467-B2 | Cross-linking agents containing isocyanate groups for nitrile rubbers | ARLANXEO DEUTSCHLAND GMBH (DE) | 2020-03-24 | — | — | US | disclosed |
| WO-2020021929-A1 | RUBBER COMPOSITION | 小野 壽男 | 2020-01-30 | — | — | WO | disclosed |
| US-9868806-B2 | Compositions that can be vulcanized and that are based on nitrile rubbers containing epoxy groups | ARLANXEO DEUTSCHLAND GMBH (DE) | 2018-01-16 | — | — | US | disclosed |
| US-9725547-B2 | Vulcanisable compositions based on epoxy group-containing nitrile rubbers | ARLANXEO DEUTSCHLAND GMBH (DE) | 2017-08-08 | — | — | US | disclosed |
| US-9650452-B2 | Vulcanizable compositions based on nitrile rubbers containing epoxy groups | ARLANXEO DEUTSCHLAND GMBH (DE) | 2017-05-16 | — | — | US | disclosed |
| US-20160376421-A1 | PHENOL-CONTAINING HYDROGENATED NITRILE RUBBER | ARLANXEO DEUTSCHLAND GMBH (DE) | 2016-12-29 | — | — | US | disclosed |
| US-20160376422-A1 | NITRILE-BUTADIENE RUBBERS THAT ARE STABLE IN STORAGE AND METHOD FOR PRODUCING SAME | ARLANXEO DEUTSCHLAND GMBH (DE) | 2016-12-29 | — | — | US | disclosed |
| US-6111045-A | YIELDS A VULCANIZED RUBBER SHOWING IMPROVEMENTS IN HEAT BUILD-UP, TENSILE STRENGTH, ABRASION RESISTANCE AND PROCESSABILITY | NIPPON ZEON CO. LTD. (JP) | 2000-08-29 | — | — | US | disclosed |
| US-6075092-A | DIENE RUBBER AND A SPECIFIED ETHYLENE OXIDE-PROPYLENE OXIDE-UNSATURATED OXIDE TERPOLYMER HAVING GIVEN MOONEY VISCOSITY; EXCELLENT HEAT BUILD-UP RESISTANCE, TENSILE STRENGTH AND PROCESSABILITY | NIPPON ZEON CO., LTD. (JP) | 2000-06-13 | — | — | US | disclosed |
| US-6057397-A | DIENE RUBBER WITH SILICA REINFORCMENT | NIPPON ZEON CO., LTD. (JP) | 2000-05-02 | — | — | US | disclosed |
| EP-0894824-A1 | RUBBER COMPOSITION | NIPPON ZEON CO., LTD. (JP) | 1999-02-03 | — | — | EP | disclosed |
| EP-0870786-A1 | DIENE RUBBER, PROCESS FOR THE PREPARATION OF THE SAME AND COMPOSITION CONTAINING THE SAME | NIPPON ZEON CO., LTD. (JP) | 1998-10-14 | — | — | EP | disclosed |
| EP-0864606-A1 | RUBBER COMPOSITION | NIPPON ZEON CO., LTD. (JP) | 1998-09-16 | — | — | EP | disclosed |
| EP-0806452-A1 | RUBBER COMPOSITION AND PROCESS FOR PREPARING THE SAME | NIPPON ZEON CO., LTD. (JP) | 1997-11-12 | — | — | EP | disclosed |
| US-3941912-A | Copolymer latex and paper coating composition thereof | SUMITOMO NAUGATUCK CO., LTD. (JA) | 1976-03-02 | — | — | US | disclosed |