Known targets — ChEMBL curated mechanism
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
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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Phosphoric Acid SCHEMBL27960768 | 0.95 | ALDH1A1 (0.39) | MEN1KMT2AGAAALDH1A1TSHR | |
| Phosphoric Acid SCHEMBL8630742 | 0.85 | ALDH1A1 (0.41) | MEN1KMT2AGAAALDH1A1TSHR | |
| Phenyl Dihydrogen Phosphate SCHEMBL28106241 | 0.84 | SRC (0.61) | ALDH1A1TDP1HSD17B10HPGDCA2 | |
| Phosphoric Acid SCHEMBL11111477 | 0.83 | PTPN5 (0.37) | MEN1KMT2AGAAALDH1A1TSHR | |
| SCHEMBL30027143 | 0.83 | ALDH1A1 (0.48) | MEN1KMT2AGAAALDH1A1TSHR | |
| SCHEMBL70068 | 0.83 | ALDH1A1 (0.48) | MEN1KMT2AGAAALDH1A1TSHR | |
| SCHEMBL27963029 | 0.83 | ALDH1A1 (0.48) | MEN1KMT2AGAAALDH1A1TSHR | |
| Catechol SCHEMBL28181592 | 0.78 | ALDH1A1 (0.54) | MEN1KMT2AGAAALDH1A1TSHR | |
| SCHEMBL14718016 | 0.77 | SRC (0.47) | ALDH1A1TDP1CYP2C9 | |
| SCHEMBL28887190 | 0.77 | PGK1 (0.40) | MEN1KMT2AGAA |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106604949-A | Alkoxy polycarbonates, bisphenol monomers, and methods of making and using the same | 沙特基础工业全球技术公司 | 2017-04-26 | — | — | CN | claimed |
| EP-3137444-A2 | ALKOXY POLYCARBONATES, BISPHENOL MONOMERS AND METHODS OF MAKING AND USING THE SAME | SABIC Global Technologies B.V. (NL) | 2017-03-08 | — | — | EP | claimed |
| WO-2015168225-A2 | ALKOXY POLYCARBONATES, BISPHENOL MONOMERS AND METHODS OF MAKING AND USING THE SAME | SABIC GLOBAL TECHNOLOGIES B.V. (NL) | 2015-11-05 | — | — | WO | claimed |
| US-9994673-B2 | Bisphenol polyether oligomers, methods of manufacture, and polycarbonates made therefrom | SABIC GLOBAL TECHNOLOGIES B.V. (NL) | 2018-06-12 | — | — | US | disclosed |
| CN-106604949-A | Alkoxy polycarbonates, bisphenol monomers, and methods of making and using the same | 沙特基础工业全球技术公司 | 2017-04-26 | — | — | CN | disclosed |
| EP-3137444-A2 | ALKOXY POLYCARBONATES, BISPHENOL MONOMERS AND METHODS OF MAKING AND USING THE SAME | SABIC Global Technologies B.V. (NL) | 2017-03-08 | — | — | EP | disclosed |
| CN-103732652-B | Polysulfone compositions and its manufacture method and its application | 沙特基础全球技术有限公司 | 2016-10-05 | — | — | CN | disclosed |
| US-20160009859-A1 | BISPHENOL POLYETHER OLIGOMERS, METHODS OF MANUFACTURE, AND POLYCARBONATES MADE THEREFROM | SHPP GLOBAL TECHNOLOGIES B.V. (NL) | 2016-01-14 | — | — | US | disclosed |
| WO-2015171709-A1 | AMORPHOUS POLYESTER COMPOSITIONS | SABIC GLOBAL TECHNOLOGIES B.V. (NL) | 2015-11-12 | — | — | WO | disclosed |
| WO-2015168225-A2 | ALKOXY POLYCARBONATES, BISPHENOL MONOMERS AND METHODS OF MAKING AND USING THE SAME | SABIC GLOBAL TECHNOLOGIES B.V. (NL) | 2015-11-05 | — | — | WO | disclosed |
| US-20150183929-A1 | BISPHENOL POLYETHER OLIGOMERS, METHODS OF MANUFACTURE, AND POLYCARBONATES MADE THEREFROM | SABIC INNOVATIVE PLASTICS IP B.V (NL) | 2015-07-02 | — | — | US | disclosed |