Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3GNRHRMPLPDE3APDE3BPDE4APDE4BPDE4CPDE4DPPARASLC5A2
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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.33 |
| ▸ | GALR3 | O60755 | 1/20 | 0.32 |
| ▸ | BBOX1 | O75936 | 3/20 | 0.31 |
| ▸ | SLC22A16 | Q86VW1 | 1/20 | 0.31 |
| ▸ | CRAT | P43155 | 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 SCHEMBL3786177 | 0.87 | LMNA (0.43) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| Itaconate SCHEMBL106952 | 0.83 | CA4 (0.43) | CA4BBOX1SLC22A16CRAT | |
| Choline SCHEMBL16684846 | 0.83 | MEN1 (0.57) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| Itaconate SCHEMBL11055692 | 0.82 | CA4 (0.38) | MEN1KMT2ACA4BBOX1SLC22A16 | |
| Choline SCHEMBL16684870 | 0.81 | MEN1 (0.55) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL4184744 | 0.81 | CYP3A4 (0.62) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL780251 | 0.81 | LMNA (0.55) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| Itaconate SCHEMBL11051886 | 0.80 | DNM1 (0.47) | — | |
| Choline SCHEMBL1920353 | 0.79 | LMNA (0.52) | MEN1LMNAKMT2ACYP3A4SLC5A7 | |
| Choline SCHEMBL31575663 | 0.79 | LMNA (0.63) | MEN1LMNAKMT2ACYP3A4SLC5A7 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11389583-B2 | Biocompatible oxygen gas generating devices for tissue engineering | ROWAN UNIVERSITY (US) | 2022-07-19 | — | — | US | claimed |
| US-20200353156-A1 | BIOCOMPATIBLE OXYGEN GAS GENERATING DEVICES FOR TISSUE ENGINEERING | ROWAN UNIVERSITY | 2020-11-12 | — | — | US | claimed |
| US-11389583-B2 | Biocompatible oxygen gas generating devices for tissue engineering | ROWAN UNIVERSITY (US) | 2022-07-19 | — | — | US | disclosed |
| US-11118104-B2 | Clay control additive for wellbore fluids | TRAHAN DAVID O (US) | 2021-09-14 | — | — | US | disclosed |
| US-20210230473-A1 | Clay Control Additive For Wellbore Fluids | TRAHAN DAVID O (US) | 2021-07-29 | — | — | US | disclosed |
| US-20200353156-A1 | BIOCOMPATIBLE OXYGEN GAS GENERATING DEVICES FOR TISSUE ENGINEERING | ROWAN UNIVERSITY | 2020-11-12 | — | — | US | disclosed |
| WO-2019217908-A1 | CLAY CONTROL ADDITIVE FOR WELLBORE FLUIDS | TRAHAN DAVID O (US) | 2019-11-14 | — | — | WO | disclosed |
| US-9234125-B2 | Corrosion inhibitor systems for low, moderate and high temperature fluids and methods for making and using same | WELLS FARGO BANK, NATIONAL ASSOCIATION | 2016-01-12 | — | — | US | disclosed |
| US-20140128294-A1 | CORROSION INHIBITOR SYSTEMS FOR LOW, MODERATE AND HIGH TEMPERATURE FLUIDS AND METHODS FOR MAKING AND USING SAME | WEATHERFORD/LAMB, INC. (US) | 2014-05-08 | — | — | US | disclosed |
| US-8563481-B2 | Corrosion inhibitor systems for low, moderate and high temperature fluids and methods for making and using same | CLEARWATER INTERNATIONAL LLC (US) | 2013-10-22 | — | — | US | disclosed |
| US-20120302468-A1 | FORMULATIONS AND USES OF DRILLING FLUIDS CONTAINING VISCOSIFIED PHOSPHATE BRINE | CLEARWATER INTERNATIONAL, LLC (US) | 2012-11-29 | — | — | US | disclosed |
| US-20120295820-A1 | MANAGEMENT OF CORROSION IN PHOSPHATE BRINES | CLEARWATER INTERNATIONAL, LLC (US) | 2012-11-22 | — | — | US | disclosed |
| EP-2264119-A1 | High density phosphate brines and methods for making and using same | Clearwater International LLC (US) | 2010-12-22 | — | — | EP | disclosed |
| US-20100305010-A1 | HIGH DENSITY PHOSPHATE BRINES AND METHODS FOR MAKING AND USING SAME | CLEARWATER INTERNATIONAL, LLC (US) | 2010-12-02 | — | — | US | disclosed |
| US-7566686-B2 | Shale inhibition additive for oil/gas down hole fluids and methods for making and using same | CLEARWATER INTERNATIONAL, LLC (US) | 2009-07-28 | — | — | US | disclosed |
| US-20080039345-A1 | Shale inhibition additive for oil/gas down hole fluids and methods for making and using same | CLEARWATER INTERNATIONAL, L.L.C. | 2008-02-14 | — | — | US | disclosed |
| US-7268100-B2 | Shale inhibition additive for oil/gas down hole fluids and methods for making and using same | CLEARWATER INTERNATIONAL, LLC (US) | 2007-09-11 | — | — | US | disclosed |
| US-20060194700-A1 | Corrosion inhibitor systems for low, moderate and high temperature fluids and methods for making and using same | WEATHERFORD/LAMB | 2006-08-31 | — | — | US | disclosed |
| US-20060116296-A1 | Shale Inhibition additive for oil/gas down hole fluids and methods for making and using same | CLEARWATER INTERNATIONAL, L.L.C. | 2006-06-01 | — | — | US | disclosed |