Known targets — ChEMBL curated mechanism
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
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 | |
|---|---|---|---|---|
| ▸ | TLR9 known ✓ | Q9NR96 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | ACHE | P22303 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | MMP8 | P22894 | 1/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| P-Xylene SCHEMBL27791681 | 0.97 | GAA (0.58) | GAAACHETDP1CA1CA2 | |
| P-Xylene SCHEMBL2456088 | 0.97 | GAA (0.58) | GAAACHETDP1CA1CA2 | |
| P-Xylene SCHEMBL2020013 | 0.93 | GAA (0.55) | GAAACHETDP1CA1CA2 | |
| P-Xylene SCHEMBL28218862 | 0.93 | GAA (0.55) | GAAACHETDP1CA1CA2 | |
| Sulfuric Acid SCHEMBL5581686 | 0.87 | GAA (0.56) | GAATDP1CA1CA2CA9 | |
| Sulfuric Acid SCHEMBL30827374 | 0.85 | GAA (0.48) | GAAACHETDP1CA1CA2 | |
| Toluene SCHEMBL3973760 | 0.85 | LMNA (0.61) | GAAACHETDP1CA1CA2 | |
| P-Cresol SCHEMBL195722 | 0.85 | ACHE (0.72) | GAAACHETDP1CA1CA2 | |
| P-Cresol SCHEMBL31258814 | 0.85 | ACHE (0.72) | GAAACHETDP1CA1CA2 | |
| P-Xylene SCHEMBL10728283 | 0.84 | GAA (0.52) | GAAACHETDP1CA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105838509-B | Enzyme solutions, non-woven fabrics containing enzyme and its preparation method and application | 3M创新有限公司 | 2018-04-24 | — | — | CN | disclosed |
| CN-1200000-C | Somatostatin analogs | CONSILS DE RECHARCHES ET D APP (FR) | 2005-05-04 | — | — | CN | disclosed |
| CN-1305496-A | Cyclic somatostatin analogs | CONSEILS DE RECHARCHES ET D AP (FR) | 2001-07-25 | — | — | CN | disclosed |