Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Toluene. 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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.61 |
| ▸ | ACHE | P22303 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL248686 | 0.97 | LMNA (0.65) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL11123126 | 0.97 | LMNA (0.65) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL3670161 | 0.94 | LMNA (0.61) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL28219186 | 0.94 | LMNA (0.61) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL27784842 | 0.94 | LMNA (0.61) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL6518753 | 0.94 | LMNA (0.61) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL3973760 | 0.94 | LMNA (0.61) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL7627695 | 0.94 | LMNA (0.61) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL5070324 | 0.94 | LMNA (0.61) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL2904564 | 0.94 | LMNA (0.61) | LMNATSHRALOX12ACHESMN1; SMN2 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023237724-A1 | METHOD FOR PROCESSING A SEPARATION PRODUCT, CONTAINING CARBOXYLIC ACIDS, OF A SEPARATION PROCESS | K.D. PHARMA BEXBACH GMBH (DE) | 2023-12-14 | — | — | WO | disclosed |
| US-9877917-B2 | Liposome formulation suitable for treating or preventing tuberculosis | ARCHIVEL FARMA, S.L. (ES) | 2018-01-30 | — | — | US | disclosed |
| US-9328335-B2 | Method to produce acetyldiacylglycerols (ac-TAGs) by expression of an acetyltransferase gene isolated from Euonymus alatus (burning bush) | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) | 2016-05-03 | — | — | US | disclosed |
| US-20130116462-A1 | METHOD TO PRODUCE ACETYLDIACYLGLYCEROLS (AC-TAGS) BY EXPRESSION OF AN ACETYLTRANSFERASE GENE ISOLATED FROM EUONYMUS ALATUS (BURNING BUSH) | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) | 2013-05-09 | — | — | US | disclosed |
| WO-2011082253-A2 | A METHOD TO PRODUCE ACETYLDIACYLGLYCEROLS (AC-TAGS) BY EXPRESSION OFAN ACETYLTRANSFERASE GENE ISOLATED FROM EUONYMUS ALATUS (BURNING BUSH) | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) | 2011-07-07 | — | — | WO | disclosed |
| US-7429473-B2 | Diacylglycerol acyltransferase genes, proteins, and uses thereof | MICHIGAN STATE UNIVERSITY (US) | 2008-09-30 | — | — | US | disclosed |
| US-20070028329-A1 | Diacylglycerol acyltransferase genes, proteins, and uses thereof | BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY | 2007-02-01 | — | — | US | disclosed |
| US-7122367-B2 | Diacylglycerol acyltransferase genes, proteins, and uses thereof | BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) | 2006-10-17 | — | — | US | disclosed |
| US-20050130284-A1 | Diacylglycerol acyltransferase genes, proteins, and uses thereof | BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY, THE | 2005-06-16 | — | — | US | disclosed |
| EP-1484392-A1 | Diacylglycerol acyltransferase genes, proteins and uses thereof | Board of Trustees Operating Michigan State University (US) | 2004-12-08 | — | — | EP | disclosed |
| US-20020051964-A1 | Male fertility with (n-3) polyunsaturated fatty acids | SURAI PETER (GB) | 2002-05-02 | — | — | US | disclosed |
| US-20020042447-A1 | Male fertility with (n-3) polyunsaturated fatty acids | JSR CLOVER LTD. (GB) | 2002-04-11 | — | — | US | disclosed |
| US-20010020041-A1 | (n-3) polyunsaturated fatty acid compositions | SURAI PETER (GB) | 2001-09-06 | — | — | US | disclosed |
| US-6235783-B1 | SEXUAL DISORDERS | JSR CLOVER LTD. (GB) | 2001-05-22 | — | — | US | disclosed |
| EP-0914112-A1 | IMPROVEMENT OF MALE FERTILITY WITH ANTIOXIDANTS AND/OR POLYUNSATURATED FATTY ACIDS | THE SCOTTISH AGRICULTURAL COLLEGE (GB) | 1999-05-12 | — | — | EP | disclosed |
| US-5858370-A | ADMINISTERING A MIXTURE OF PLANT EXTRACT OILS TO HUMAN BODY TO PROVIDE A PHYSIOLOGICAL EFFECT, PREVENTION OR MITIGATION OF DELETERIOUS CHANGES IN NERVOUS TISSUE, ELEVATION OF PROTEIN LEVELS, AND RETINAL DEGENERATION | SCOTTISH AGRICULTURAL COLLEGE (GB) | 1999-01-12 | — | — | US | disclosed |
| WO-1998000125-A1 | IMPROVEMENT OF MALE FERTILITY WITH ANTIOXIDANTS AND/OR POLYUNSATURATED FATTY ACIDS | THE SCOTTISH AGRICULTURAL COLLEGE (GB) | 1998-01-08 | — | — | WO | disclosed |
| EP-0716608-A1 | BENEFICIAL EFFECTS OF PLANT VOLATILE OILS | The Scottish Agricultural College (GB) | 1996-06-19 | — | — | EP | disclosed |