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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL4243921 | 0.95 | TAAR1 (0.38) | TAAR1SLC6A2KCNN4CYP2C19TP53 | |
| Tert-Butylamine SCHEMBL28670024 | 0.82 | — | — | |
| Tert-Butylamine SCHEMBL8051 | 0.82 | — | — | |
| Tert-Butylamine SCHEMBL6064515 | 0.82 | FDPS (0.33) | TSHR | |
| Tert-Butylamine SCHEMBL5736553 | 0.82 | — | — | |
| Pyridine SCHEMBL9619572 | 0.78 | TSHR (0.60) | TAAR1SLC6A2TSHR | |
| Tert-Butylamine SCHEMBL263850 | 0.76 | — | — | |
| Tert-Butylamine SCHEMBL189940 | 0.76 | — | — | |
| Tert-Butylamine SCHEMBL7781705 | 0.76 | — | — | |
| Tert-Butylamine SCHEMBL20597076 | 0.76 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4995997-A | Containing aromatic amine | YUSHIRO CHEMICAL INDUSTRY CO., LTD. (JP) | 1991-02-26 | — | — | US | claimed |
| EP-0388320-A1 | Antibacterial water-soluble cutting fluids resistant to yeast-like fungi | YUSHIRO CHEMICAL INDUSTRY CO. LTD. (JP) | 1990-09-19 | — | — | EP | claimed |
| CN-104661641-B | Nitrone compound is with them as the application of antioxidant in personal nursing | 陶氏环球技术有限公司 | 2019-06-04 | — | — | CN | disclosed |
| CN-106061941-B | Nitrone compounds and their use in personal care | 陶氏环球技术有限责任公司 | 2018-05-08 | — | — | CN | disclosed |
| CN-106061941-A | Nitrone compounds and their use in personal care | 陶氏环球技术有限责任公司 | 2016-10-26 | — | — | CN | disclosed |
| US-20160271236-A1 | RECOMBINANT T-CELL RECEPTOR LIGAND FOR THE TREATMENT OF COGNITIVE AND NEUROPSYCHIATRIC IMPAIRMENT INDUCED BY SUBSTANCE ADDICTION | OREGON HEALTH & SCIENCE UNIVERSITY | 2016-09-22 | — | — | US | disclosed |
| US-9359425-B2 | Recombinant T-cell receptor ligand for the treatment of cognitive and neuropsychiatric impairment induced by substance addiction | OREGON HEALTH & SCIENCE UNIVERSITY (US) | 2016-06-07 | — | — | US | disclosed |
| US-20150037363-A1 | RECOMBINANT T-CELL RECEPTOR LIGAND FOR THE TREATMENT OF COGNITIVE AND NEUROPSYCHIATRIC IMPAIRMENT INDUCED BY SUBSTANCE ADDICTION | OREGON HEALTH & SCIENCE UNIVERSITY | 2015-02-05 | — | — | US | disclosed |
| US-8895018-B2 | Recombinant T-cell receptor ligand for the treatment of cognitive and neuropsychiatric impairment induced by substance addiction | OREGON HEALTH & SCIENCE UNIVERSITY (US) | 2014-11-25 | — | — | US | disclosed |
| US-20130273087-A1 | RECOMBINANT T-CELL RECEPTOR LIGAND FOR THE TREATMENT OF COGNITIVE AND NEUROPSYCHIATRIC IMPAIRMENT INDUCED BY SUBSTANCE ADDICTION | THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS | 2013-10-17 | — | — | US | disclosed |
| US-20120195921-A1 | RECOMBINANT T-CELL RECEPTOR LIGAND FOR THE TREATMENT OF COGNITIVE AND NEUROPSYCHIATRIC IMPAIRMENT INDUCED BY SUBSTANCE ADDICTION | as Represented by the Department of Veterans Affairs | 2012-08-02 | — | — | US | disclosed |
| CN-101071120-A | Method for analysing and detecting gas-phas free-radical in cigarette mainstream smoke | ZHENGZHOU TOBACCO INST CHINA N (CN) | 2007-11-14 | — | — | CN | disclosed |
| US-4995997-A | Containing aromatic amine | YUSHIRO CHEMICAL INDUSTRY CO., LTD. (JP) | 1991-02-26 | — | — | US | disclosed |
| EP-0388320-A1 | Antibacterial water-soluble cutting fluids resistant to yeast-like fungi | YUSHIRO CHEMICAL INDUSTRY CO. LTD. (JP) | 1990-09-19 | — | — | EP | disclosed |
| US-4097477-A | Steroid compounds and processes thereof | STEELE CHEMICALS CO. LTD. (CA) | 1978-06-27 | — | — | US | disclosed |