Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Pentaerythrityl Dinitrate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Pentaerythrityl Dinitrate SCHEMBL6270893 | 1.00 | ALDH1A1 (0.65) | ALDH1A1CA5ACA5BLMNA | |
| Pentaerythrityl Dinitrate SCHEMBL2290461 | 0.95 | ALDH1A1 (0.71) | ALDH1A1LMNA | |
| Pentrinitrol SCHEMBL15777772 | 0.91 | ALDH1A1 (0.71) | ALDH1A1LMNA | |
| Pentrinitrol SCHEMBL122322 | 0.91 | ALDH1A1 (0.71) | ALDH1A1LMNA | |
| Pentaerythrityl Mononitrate SCHEMBL2293171 | 0.91 | ALDH1A1 (0.71) | ALDH1A1LMNA | |
| Pentrinitrol SCHEMBL3884946 | 0.88 | ALDH1A1 (0.68) | ALDH1A1LMNA | |
| Pentaerythritol Tetranitrate SCHEMBL1028496 | 0.88 | ALDH1A1 (0.84) | ALDH1A1CA5ACA5B | |
| Nitric Acid SCHEMBL6271440 | 0.88 | ALDH1A1 (0.56) | ALDH1A1CA5ACA5BLMNA | |
| SCHEMBL17482168 | 0.83 | ALDH1A1 (0.60) | ALDH1A1LMNA | |
| SCHEMBL7559992 | 0.83 | ALDH1A1 (0.60) | ALDH1A1LMNA |
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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9815175-B2 | Abrasive entrainment waterjet cutting | G.D.O. INC (US) | 2017-11-14 | — | — | US | claimed |
| US-9744645-B2 | Abrasive entrainment waterjet cutting | G.D.O. Inc. (US) | 2017-08-29 | — | — | US | claimed |
| US-20170151650-A1 | Abrasive Entrainment Waterjet Cutting | G.D.O. INC D/B/A GRADIENT TECHNOLOGY | 2017-06-01 | — | — | US | claimed |
| US-20170151651-A1 | Abrasive Entrainment Waterjet Cutting | G.D.O. INC D/B/A GRADIENT TECHNOLOGY | 2017-06-01 | — | — | US | claimed |
| US-8585840-B2 | Recovery of the energetic component from plastic bonded explosives | G.D.O., INC. (US) | 2013-11-19 | — | — | US | claimed |
| US-8444881-B2 | Methods for making scent simulants of chemical explosives, and compositions thereof | Adebimpe, David O.B.A. (US) | 2013-05-21 | — | — | US | claimed |
| US-20120227876-A1 | RECOVERY OF THE ENERGETIC COMPONENT FROM PLASTIC BONDED EXPLOSIVES | G.D.O., INC. D/B/A GRADIENT TECHNOLOGY | 2012-09-13 | — | — | US | claimed |
| US-20100045459-A1 | Creature-machine hybrid detector system for the autonomous and multimodal detection of illicit and hazardous materials | ADEBIMPE DAVID O B A | 2010-02-25 | — | — | US | claimed |
| WO-2009148590-A2 | A CREATURE-MACHINE HYBRID DETECTOR SYSTEM FOR THE AUTONOMOUS AND MULTIMODAL DETECTION OF ILLICIT AND HAZARDOUS MATERIALS | ADEBIMPE DAVID (US) | 2009-12-10 | — | — | WO | claimed |
| US-20090194744-A1 | Methods for making scent simulants of chemical explosives, and compositions thereof | ADEBIMPE DAVID O B A | 2009-08-06 | — | — | US | claimed |
| US-20060070690-A1 | Recovery of the energetic component from plastic bonded explosives | MILLER PAUL L | 2006-04-06 | — | — | US | claimed |
| US-5648636-A | NON-EXPLOSIVE SUBSTRATE MATERIAL WITH EXPLOSIVE COATING | REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1997-07-15 | — | — | US | claimed |
| US-4555277-A | STORAGE STABLEW, PLASTIC URETHANE, PLASTICIZING | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITES STATES DEPARTMENT OF ENERGY (US) | 1985-11-26 | — | — | US | claimed |
| US-9851307-B2 | Device and methods for detection of analytes including use of a colorimetric barcode | FLIR DETECTION, INC. (US) | 2017-12-26 | — | — | US | disclosed |
| US-9815175-B2 | Abrasive entrainment waterjet cutting | G.D.O. INC (US) | 2017-11-14 | — | — | US | disclosed |
| US-20170151650-A1 | Abrasive Entrainment Waterjet Cutting | G.D.O. INC D/B/A GRADIENT TECHNOLOGY | 2017-06-01 | — | — | US | disclosed |
| WO-1994000275-A1 | AN ABRASIVE FLUID JET CUTTING COMPOSITION AND METHOD | ALLIANT TECHSYSTEMS INC. (US) | 1994-01-06 | — | — | WO | disclosed |
| US-4952255-A | ETHYLENE-VINYL ACETATE COPOLYMER AND PENTAERYTHRITOL PENTATETRANITRATE MIXTURE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1990-08-28 | — | — | US | disclosed |
| US-4861397-A | Fire-resistant explosives | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1989-08-29 | — | — | US | disclosed |
| US-4555277-A | STORAGE STABLEW, PLASTIC URETHANE, PLASTICIZING | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITES STATES DEPARTMENT OF ENERGY (US) | 1985-11-26 | — | — | US | disclosed |