Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of P-Xylene. 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 | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
| ▸ | CA5A | P35218 | 2/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.50 |
| ▸ | FBP1 | P09467 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| 4-Nitrotoluene SCHEMBL28384838 | 0.87 | ACHE (0.86) | ACHEHSD17B10TDP1TSHRALDH1A1 | |
| Nitric Acid SCHEMBL6287124 | 0.87 | ACHE (0.62) | ACHEHSD17B10CA5ACA5BFBP1 | |
| Toluene SCHEMBL5351746 | 0.86 | ACHE (0.58) | ACHEHSD17B10CA5ACA5BFBP1 | |
| Toluene SCHEMBL11745380 | 0.86 | ACHE (0.58) | ACHEHSD17B10CA5ACA5BFBP1 | |
| Toluene SCHEMBL11742214 | 0.86 | ACHE (0.58) | ACHEHSD17B10CA5ACA5BFBP1 | |
| Toluene SCHEMBL6285825 | 0.84 | ACHE (0.55) | ACHEHSD17B10CA5ACA5BFBP1 | |
| Toluene SCHEMBL6287128 | 0.84 | ACHE (0.55) | ACHEHSD17B10CA5ACA5BFBP1 | |
| Toluene SCHEMBL27515858 | 0.84 | ACHE (0.55) | ACHEHSD17B10CA5ACA5BFBP1 | |
| P-Cymene SCHEMBL28370313 | 0.83 | ACHE (0.46) | ACHEHSD17B10FBP1TDP1TSHR | |
| Nitric Acid SCHEMBL2801346 | 0.83 | ALDH1A1 (0.50) | ACHEHSD17B10CA5ACA5BTDP1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106831392-B | Method for co-producing benzoic acid, p-methylbenzoic acid and m-methylbenzoic acid | 江西科苑生物药业有限公司 | 2020-11-17 | — | — | CN | disclosed |
| CN-109096090-A | A kind of catalyst for paraxylene catalysis oxidation synthesis p-methylbenzoic acid and a kind of preparation method of p-methylbenzoic acid | 岭南师范学院 | 2018-12-28 | — | — | CN | disclosed |
| CN-108863757-A | A kind of coproducing methyl benzoic acid, methyl benzonitrile and benzene dicarbonitrile method | 江西科苑生物药业有限公司 | 2018-11-23 | — | — | CN | disclosed |
| CN-108117486-A | A kind of method of coproducing methyl benzoic acid, methyl benzoyl chloride and phthalyl chloride | 江西科苑生物药业有限公司 | 2018-06-05 | — | — | CN | disclosed |
| CN-108047034-A | A kind of method of coproducing methyl benzoic acid, methyl benzoic acid ester and ester | 江西科苑生物药业有限公司 | 2018-05-18 | — | — | CN | disclosed |
| CN-105348067-B | A kind of method of coproducing methyl benzoic acid and phthalic acid | 江西科苑生物药业有限公司 | 2017-12-12 | — | — | CN | disclosed |
| CN-105237344-B | A kind of method of coproducing methyl benzoic acid, tolyl aldehyde and methylbenzyl alcohol | 江西科苑生物药业有限公司 | 2017-06-23 | — | — | CN | disclosed |
| CN-106831392-A | A kind of method of coproduction benzoic acid, p-methylbenzoic acid and m-methyl benzoic acid | 江西科苑生物药业有限公司 | 2017-06-13 | — | — | CN | disclosed |
| CN-105348067-A | Co-production method for methyl benzoic acid and phthalic acid | QUZHOU QUNYING CHEMICAL TECHNOLOGY CO LTD | 2016-02-24 | — | — | CN | disclosed |
| CN-105237344-A | Coproduction method of methyl benzoic acid, methyl benzaldehyde, and methyl benzyl alcohol | QUZHOU QUNYING CHEMICAL INDUSTRY CO LTD | 2016-01-13 | — | — | CN | disclosed |
| CN-101462948-A | Method for producing methyl benzoie acid by catalytic oxidation of dimethylbenzene | DALIAN INST CHEM & PHYSICS (CN) | 2009-06-24 | — | — | CN | disclosed |
| EP-0385441-B1 | MARKER FOR PETROLIFEROUS PRODUCTS | ACNA CHIMICA ORGANICA S.P.A. (IT) | 1993-04-21 | — | — | EP | disclosed |
| EP-0385441-A1 | Marker for petroliferous products | ACNA CHIMICA ORGANICA S.P.A. (IT) | 1990-09-05 | — | — | EP | disclosed |