Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 5/20 | 0.63 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
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 SCHEMBL28292894 | 0.97 | ACHE (0.67) | ACHEPARP1TP53TDP1ALDH1A1 | |
| Formic Acid SCHEMBL28188243 | 0.86 | ACHE (0.52) | ACHEPARP1TDP1ALDH1A1LMNA | |
| M-Xylene SCHEMBL28204606 | 0.84 | ACHE (0.63) | ACHEPARP1TP53TDP1ALDH1A1 | |
| M-Xylene SCHEMBL28804955 | 0.83 | ACHE (0.71) | ACHEPARP1TP53TDP1ALDH1A1 | |
| Metacresol SCHEMBL28085167 | 0.83 | ACHE (0.77) | ACHEPARP1TP53TDP1ALDH1A1 | |
| M-Xylene SCHEMBL28161426 | 0.83 | ACHE (0.80) | ACHEPARP1TP53TDP1ALDH1A1 | |
| M-Xylene SCHEMBL6772612 | 0.83 | ACHE (0.92) | ACHEPARP1TP53TDP1ALDH1A1 | |
| M-Xylene SCHEMBL6772618 | 0.83 | ACHE (0.92) | ACHEPARP1TP53TDP1ALDH1A1 | |
| M-Xylene SCHEMBL6772614 | 0.83 | — | — | |
| M-Xylene SCHEMBL25222375 | 0.81 | ACHE (0.67) | ACHEPARP1TP53TDP1ALDH1A1 |
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-103833723-B | The manufacture method of cyclic sulfonic acid ester and intermediate thereof | 和光纯药工业株式会社 | 2016-08-17 | — | — | CN | disclosed |