Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of M-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 | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 3/20 | 0.67 |
| ▸ | ACP3 | P15309 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.45 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| M-Xylene SCHEMBL379656 | 1.00 | ACHE (0.67) | ACHEACP3HDAC8HDAC6PTPN5 | |
| M-Xylene SCHEMBL27484345 | 1.00 | ACHE (0.67) | ACHEACP3HDAC8HDAC6PTPN5 | |
| M-Xylene SCHEMBL29023600 | 1.00 | ACHE (0.67) | ACHEACP3HDAC8HDAC6PTPN5 | |
| M-Xylene SCHEMBL867616 | 1.00 | ACHE (0.67) | ACHEACP3HDAC8HDAC6PTPN5 | |
| M-Xylene SCHEMBL31175847 | 1.00 | ACHE (0.67) | ACHEACP3HDAC8HDAC6PTPN5 | |
| M-Xylene SCHEMBL17746871 | 0.97 | ACHE (0.63) | ACHEACP3HDAC8HDAC6PTPN5 | |
| M-Xylene SCHEMBL29071090 | 0.93 | ACP3 (0.58) | ACHEACP3HDAC8HDAC6PTPN5 | |
| Metacresol SCHEMBL29636927 | 0.85 | ACHE (0.77) | ACHEACP3HDAC8HDAC6PTPN5 | |
| Metacresol SCHEMBL17629408 | 0.85 | ACHE (0.77) | ACHEACP3HDAC8HDAC6PTPN5 | |
| Pyrophosphoric Acid SCHEMBL31108658 | 0.85 | ACHE (0.55) | ACHEACP3HDAC8HDAC6PTPN5 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118754909-A | Triaryl phosphate prepared from white phosphorus by photochemistry promotion, and preparation method and application thereof | 西安热工研究院有限公司 | 2024-10-11 | — | — | CN | disclosed |