Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of O-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 | |
|---|---|---|---|---|
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.56 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | TNKS | O95271 | 1/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.52 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
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 SCHEMBL20212304 | 0.93 | ALDH1A1 (0.61) | GAAKMT2ATSHRACHEHCAR2 | |
| Maleic Acid SCHEMBL28843794 | 0.85 | KMT2A (0.53) | GAAKMT2AHCAR2HDAC3TNKS | |
| O-Tolylamine SCHEMBL29875692 | 0.84 | TDP1 (0.60) | GAAKMT2ATSHRHCAR2HDAC3 | |
| Toluic Acid SCHEMBL30883753 | 0.84 | ALDH1A1 (0.53) | GAAKMT2AALDH1A1LMNAHPGD | |
| Maleic Acid SCHEMBL27286439 | 0.84 | ALDH1A1 (0.61) | GAAKMT2ATSHRACHEHCAR2 | |
| Maleic Acid SCHEMBL27286438 | 0.84 | ALDH1A1 (0.61) | GAAKMT2ATSHRACHEHCAR2 | |
| Fumaric Acid SCHEMBL7140603 | 0.84 | ALDH1A1 (0.61) | GAAKMT2ATSHRACHEHCAR2 | |
| O-Xylene SCHEMBL28509799 | 0.83 | TSHR (0.67) | GAAKMT2ATSHRACHEALDH1A1 | |
| O-Xylene SCHEMBL7498508 | 0.83 | TSHR (0.67) | GAAKMT2ATSHRACHEALDH1A1 | |
| Sorbic Acid SCHEMBL8205949 | 0.83 | GAA (0.44) | GAAKMT2ATSHRACHEHCAR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1524280-A1 | Fast drying coating composition comprising an unsaturated hydroxydiester | Resolution Research Belgium S.A. (BE) | 2005-04-20 | — | — | EP | disclosed |