Known targets — ChEMBL curated mechanism
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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.73 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 5/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
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 SCHEMBL8038038 | 0.96 | TP53 (0.67) | TP53CYP2C19MEN1GLAKMT2A | |
| Benzene SCHEMBL28278572 | 0.89 | TP53 (0.57) | TP53CYP2C19MEN1GLAKMT2A | |
| Benzene SCHEMBL11227744 | 0.89 | TP53 (0.57) | TP53CYP2C19MEN1GLAKMT2A | |
| Diethylamine SCHEMBL140448 | 0.86 | TP53 (0.80) | TP53CYP2C19MEN1GLAKMT2A | |
| Diethylamine SCHEMBL140450 | 0.86 | — | — | |
| Hexane SCHEMBL15018245 | 0.86 | TP53 (0.53) | TP53CYP2C19MEN1GLAKMT2A | |
| Benzene SCHEMBL11476116 | 0.86 | TP53 (0.53) | TP53CYP2C19MEN1GLAKMT2A | |
| Diethylamine SCHEMBL7130457 | 0.85 | TP53 (1.00) | TP53CYP2C19MEN1GLAKMT2A | |
| Diethylamine SCHEMBL3558785 | 0.85 | — | — | |
| Diethylamine SCHEMBL7368833 | 0.85 | — | — |
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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109575441-A | A kind of good appearance composite polyolefine material and preparation method thereof for 3D printing | 上海金发科技发展有限公司 | 2019-04-05 | — | — | CN | claimed |
| CN-106366226-A | Transition metal catalyst composition and applications thereof | 中国石油化工股份有限公司 | 2017-02-01 | — | — | CN | claimed |
| CN-104592512-A | Carbon dioxide based polyurea and preparation method and application thereof | CHANGCHUN APPLIED CHEMISTRY | 2015-05-06 | — | — | CN | claimed |
| CN-103073435-A | Synthesis method for 4-bromo-o-phenylenediamine | SHANGHAI RECORD PHARMACEUTICALS CO LTD | 2013-05-01 | — | — | CN | claimed |
| CN-1261480-C | Ultra-low temperature adhesive of epoxy resin and preparation thereof | BEIJING AERONAUTICAL & AEROSPA (CN) | 2006-06-28 | — | — | CN | claimed |
| CN-1613888-A | Ultra-low temperature adhesive of epoxy resin and preparation thereof | BEIJING AERONAUTICAL & AEROSPA (CN) | 2005-05-11 | — | — | CN | claimed |
| EP-1265858-B1 | HYDROGEN REDUCTION OF SULFONYL CHLORIDES TO THIOLS | DU PONT (US) | 2004-05-19 | — | — | EP | claimed |
| CN-116535405-B | Benzimidazole fused pyrimidoquinoline fluorescent molecule, and preparation method and application thereof | 武汉轻工大学 | 2024-05-17 | — | — | CN | disclosed |
| CN-116535405-A | Benzimidazole fused pyrimidoquinoline fluorescent molecule, and preparation method and application thereof | 武汉轻工大学 | 2023-08-04 | — | — | CN | disclosed |
| CN-113372346-B | Synthetic method of 3-fatty amine methyl imidazo [1, 2-alpha ] pyridine compound | 南华大学 | 2022-08-19 | — | — | CN | disclosed |
| CN-113372346-A | Synthetic method of 3-fatty amine methyl imidazo [1, 2-alpha ] pyridine compound | 南华大学 | 2021-09-10 | — | — | CN | disclosed |
| CN-109734721-B | Pyrazine [2,3-g ] quinoxaline-based organic photosensitizer and preparation method and photodynamic application thereof | 中国科学院理化技术研究所 | 2020-10-02 | — | — | CN | disclosed |
| US-10731062-B2 | Gas-generating material and micropump | SEKISUI CHEMICAL CO., LTD. (JP) | 2020-08-04 | — | — | US | disclosed |
| US-4431720-A | LIGHT-SCATTERING AND PHOTOGRAPHICALLY-FORMED LIGHT-ABSORBING ELEMENTS IN A BINDER; CONTRAST | ZENITH RADIO CORP. (US) | 1984-02-14 | — | — | US | disclosed |
| US-4313926-A | Method for the preparation of a scintillographic agent | UNIWERSYTET WARSZAWSKI (PL) | 1982-02-02 | — | — | US | disclosed |
| US-4031106-A | Synthesis of aromatic amines by reaction of aromatic compounds with ammonia | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1977-06-21 | — | — | US | disclosed |
| US-4006127-A | Cationic diazacyanine dyestuffs | BAYER AKTIENGESELLSCHAFT (DT) | 1977-02-01 | — | — | US | disclosed |
| US-3996210-A | OPTICAL BRIGHTENERS | SANDOZ LTD. (CH) | 1976-12-07 | — | — | US | disclosed |
| US-3978040-A | Process for the preparation of cyanoazo compounds by reacting halogenoazo compounds with CuCN in an aqueous media in the presence of a nitrogen base | BAYER AKTIENGESELLSCHAFT (DT) | 1976-08-31 | — | — | US | disclosed |
| US-3956345-A | POLYESTER | CIBA-GEIGY AG (CH) | 1976-05-11 | — | — | US | disclosed |