Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Benzene. 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 | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | HTR2A | P28223 | 3/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28116921 | 0.94 | TAAR1 (0.40) | TAAR1HTR2ALOXL2CYP2A6SMN1; SMN2 | |
| Benzene SCHEMBL27687179 | 0.94 | TAAR1 (0.40) | TAAR1HTR2ALOXL2CYP2A6SMN1; SMN2 | |
| Benzene SCHEMBL28095018 | 0.80 | — | — | |
| Ethylenediamine SCHEMBL28924405 | 0.79 | NFKB1 (0.50) | TSHRTP53MEN1ALDH1A1CYP1A2 | |
| Ethylenediamine SCHEMBL30253568 | 0.79 | — | — | |
| Ethylenediamine SCHEMBL3083 | 0.79 | — | — | |
| Ethylenediamine SCHEMBL7085968 | 0.79 | NFKB1 (0.50) | TSHRTP53MEN1ALDH1A1CYP1A2 | |
| Ethylenediamine SCHEMBL37647 | 0.79 | — | — | |
| Ethylenediamine SCHEMBL23633140 | 0.72 | — | — | |
| Ethylenediamine SCHEMBL371485 | 0.72 | — | — |
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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107096401-A | A kind of high-k Nano filtering composite membrane and preparation method thereof | 内蒙古天环境技术有限公司 | 2017-08-29 | — | — | CN | claimed |
| CN-103977718-B | Positive osmosis composite membrane of a kind of high water flux and preparation method thereof | UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA (CN) | 2016-03-02 | — | — | CN | claimed |
| CN-105289322-A | Composite forward osmosis membrane based on superthin support layer and preparation method thereof | UNIV TIANJIN POLYTECHNIC | 2016-02-03 | — | — | CN | claimed |
| EP-2486975-B1 | FAST MIXING REACTOR AND USE THEREOF | WANHUA CHEMICAL GROUP CO LTD (CN) | 2015-09-23 | — | — | EP | claimed |
| US-9138717-B2 | High-speed mixing reactor and application thereof | WANHUA CHEMICAL GROUP CO., LTD (CN) | 2015-09-22 | — | — | US | claimed |
| CN-103977718-A | High-water-flux forward-osmosis composite membrane and preparation method thereof | USTC UNIV SCIENCE TECH CN | 2014-08-13 | — | — | CN | claimed |
| US-20130178596-A1 | HIGH-SPEED MIXING REACTOR AND APPLICATION THEREOF | YANTAI WANHUA POLYURETHANES CO., LTD. (CN) | 2013-07-11 | — | — | US | claimed |
| EP-2486975-A1 | FAST MIXING REACTOR AND USE THEREOF | Yantai Wanhua Polyurethanes Co., Ltd. (CN) | 2012-08-15 | — | — | EP | claimed |
| CN-117567390-A | Benzene-1, 2-ethylenediamine compound containing (1, 3, 4-thiadiazole) and preparation method and application thereof | 中国海洋大学 | 2024-02-20 | — | — | CN | disclosed |
| CN-117567390-A | Benzene-1, 2-ethylenediamine compound containing (1, 3, 4-thiadiazole) and preparation method and application thereof | 中国海洋大学 | 2024-02-20 | — | — | CN | disclosed |
| CN-117567390-A | Benzene-1, 2-ethylenediamine compound containing (1, 3, 4-thiadiazole) and preparation method and application thereof | 中国海洋大学 | 2024-02-20 | — | — | CN | disclosed |
| CN-107428664-B | Method for producing (meth) acrylate compound | 株式会社可乐丽 | 2020-07-10 | — | — | CN | disclosed |
| CN-110386893-A | Isoindole derivatives | 天津合美医药科技有限公司 | 2019-10-29 | — | — | CN | disclosed |
| CN-108578380-A | Controlled releasing penetrant pump | 广州玻思韬控释药业有限公司 | 2018-09-28 | — | — | CN | disclosed |
| CN-1997371-A | Nicotinamide derivatives and their use as therapeutic agents | XENON PHARMACEUTICALS INC (CA) | 2007-07-11 | — | — | CN | disclosed |
| US-6329523-B1 | FOR ANTIBACTERIAL PHARMACEUTICAL USE, USEFUL FOR IDENTIFYING METAL CHELATING SPECIES FOR ?HEAVY METAL? THERAPY; IMAGING AGENTS | ISIS PHARMACEUTICALS, INC. | 2001-12-11 | — | — | US | disclosed |
| WO-1998005961-A1 | COMPOUNDS HAVING A PLURALITY OF NITROGENOUS SUBSTITUENTS | ISIS PHARMACEUTICALS, INC. (US) | 1998-02-12 | — | — | WO | disclosed |
| EP-0347435-A4 | DNA SEQUENCES, RECOMBINANT DNA MOLECULES AND PROCESSES FOR PRODUCING SOLUBLE T4 PROTEINS | — | 1991-11-21 | — | — | EP | disclosed |
| EP-0347435-A1 | DNA SEQUENCES, RECOMBINANT DNA MOLECULES AND PROCESSES FOR PRODUCING SOLUBLE T4 PROTEINS | BIOGEN, INC. (US) | 1989-12-27 | — | — | EP | disclosed |
| WO-1989001940-A1 | DNA SEQUENCES, RECOMBINANT DNA MOLECULES AND PROCESSES FOR PRODUCING SOLUBLE T4 PROTEINS | BIOGEN, INC. (US) | 1989-03-09 | — | — | WO | disclosed |