Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 known ✓ | P22748 | 5/20 | 0.53 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.31 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.31 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.31 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LDHA | P00338 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 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 SCHEMBL105794 | 0.97 | CA4 (0.50) | CA4FAHD1CASP1CA2CA12 | |
| Itaconate SCHEMBL108568 | 0.97 | CA4 (0.56) | CA4FAHD1CASP1FFAR3HDAC3 | |
| Itaconate SCHEMBL17048957 | 0.97 | — | — | |
| Itaconate SCHEMBL28469208 | 0.97 | CA4 (0.56) | CA4FAHD1CASP1FFAR3HDAC3 | |
| Itaconate SCHEMBL108661 | 0.94 | CA4 (0.47) | CA4FAHD1CASP1CA2CA12 | |
| Itaconate SCHEMBL107045 | 0.94 | CA4 (0.53) | CA4FAHD1CASP1FFAR3HDAC3 | |
| Itaconate SCHEMBL9244087 | 0.92 | CA4 (0.50) | CA4FAHD1CASP1CA2CA12 | |
| Itaconate SCHEMBL18554541 | 0.92 | CA4 (0.50) | CA4FAHD1CASP1CA2CA12 | |
| Itaconate SCHEMBL7511457 | 0.92 | CA4 (0.50) | CA4FAHD1CASP1CA2CA12 | |
| Itaconate SCHEMBL3209006 | 0.92 | CA4 (0.50) | CA4FAHD1CASP1CA2CA12 |
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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2426558-B1 | Silicon-containing film-forming composition, silicon-containing film-formed substrate, and patterning process | SHINETSU CHEMICAL CO (JP) | 2018-10-24 | — | — | EP | disclosed |
| EP-2500775-B1 | PATTERNING PROCESS AND COMPOSITION FOR FORMING SILICON-CONTAINING FILM USABLE THEREFOR | SHINETSU CHEMICAL CO (JP) | 2018-01-03 | — | — | EP | disclosed |
| US-8951711-B2 | Patterning process and composition for forming silicon-containing film usable therefor | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2015-02-10 | — | — | US | disclosed |
| US-20140342289-A1 | PATTERNING PROCESS AND COMPOSITION FOR FORMING SILICON-CONTAINING FILM USABLE THEREFOR | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2014-11-20 | — | — | US | disclosed |
| US-8852844-B2 | Composition for forming silicon-containing film, silicon-containing film-formed substrate and patterning process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2014-10-07 | — | — | US | disclosed |
| US-8835102-B2 | Patterning process and composition for forming silicon-containing film usable therefor | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2014-09-16 | — | — | US | disclosed |
| EP-2172807-B1 | Composition for forming silicon-containing film, silicon-containing film-formed substrate and patterning process | SHINETSU CHEMICAL CO (JP) | 2014-06-18 | — | — | EP | disclosed |
| EP-2172808-B1 | Metal oxide-containing film-forming composition metal oxide-containing film-formed substrate, and patterning process | SHINETSU CHEMICAL CO (JP) | 2014-06-04 | — | — | EP | disclosed |
| US-8652750-B2 | Silicon-containing film-forming composition, silicon-containing film, silicon-containing film-bearing substrate, and patterning method | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2014-02-18 | — | — | US | disclosed |
| US-8652267-B2 | Coated-type silicon-containing film stripping process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2014-02-18 | — | — | US | disclosed |
| EP-1845132-B1 | Silicon-containing film-forming composition, silicon-containing film, silicon-containing film-bearing substrate, and patterning method | SHINETSU CHEMICAL CO (JP) | 2009-01-21 | — | — | EP | disclosed |
| US-20090011372-A1 | SILICON-CONTAINING FILM-FORMING COMPOSITION, SILICON-CONTAINING FILM, SILICON-CONTAINING FILM-BEARING SUBSTRATE, AND PATTERNING METHOD | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2009-01-08 | — | — | US | disclosed |
| EP-2011830-A1 | Silicon-containing film-forming composition, silicon-containing film, silicon-containing film-bearing substrate, and patterning method | Shin-Etsu Chemical Co., Ltd. (JP) | 2009-01-07 | — | — | EP | disclosed |
| EP-2011829-A1 | Silicon-containing film-forming composition, silicon-containing film, silicon-containing film-bearing substrate, and patterning method | Shin-Etsu Chemical Co., Ltd. (JP) | 2009-01-07 | — | — | EP | disclosed |
| EP-1867681-B1 | Silicon-containing film-forming composition, silicon-containing film, silicon-containing film-bearing substrate, and patterning method | SHINETSU CHEMICAL CO (JP) | 2008-12-31 | — | — | EP | disclosed |
| US-20080274432-A1 | SILICONE-CONTAINING FILM-FORMING COMPOSITION, SILICON-CONTAINING FILM, SILICON-CONTAINING FILM-BEARING SUBSTRATE, AND PATTERNING METHOD | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2008-11-06 | — | — | US | disclosed |
| US-20080026322-A1 | Hydrolytic condensation of organosilicon compound using acid and basic catalyst with Group 1a hydroxide, organic acid and solvent; efficiency patterning photoresist film | SHIN-ETSU CHEMICAL CO., LTD. | 2008-01-31 | — | — | US | disclosed |
| EP-1867681-A1 | Silicon-containing film-forming composition, silicon-containing film, silicon-containing film-bearing substrate, and patterning method | Shin-Etsu Chemical Co., Ltd. (JP) | 2007-12-19 | — | — | EP | disclosed |
| EP-1845132-A2 | Silicon-containing film-forming composition, silicon-containing film, silicon-containing film-bearing substrate, and patterning method | Shinetsu Chemical Co., Ltd. (JP) | 2007-10-17 | — | — | EP | disclosed |
| US-20070238300-A1 | Silicon-containing film-forming composition, silicon-containing film, silicon-containing film-bearing substrate, and patterning method | SHIN-ETSU CHEMICAL CO., LTD. | 2007-10-11 | — | — | US | disclosed |