Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol
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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.74 |
| ▸ | HTT | P42858 | 4/20 | 0.74 |
| ▸ | LMNA | P02545 | 4/20 | 0.74 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.74 |
| ▸ | HPGD | P15428 | 3/20 | 0.74 |
| ▸ | MAPT | P10636 | 3/20 | 0.74 |
| ▸ | THRB | P10828 | 1/20 | 0.74 |
| ▸ | NMT1 | P30419 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | PKM | P14618 | 2/20 | 0.56 |
| ▸ | ATM | Q13315 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.53 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL27286439 | 0.89 | ALDH1A1 (0.61) | ALDH1A1HTTLMNANPSR1HPGD | |
| Fumaric Acid SCHEMBL7140603 | 0.89 | ALDH1A1 (0.61) | ALDH1A1HTTLMNANPSR1HPGD | |
| Maleic Acid SCHEMBL27286438 | 0.89 | ALDH1A1 (0.61) | ALDH1A1HTTLMNANPSR1HPGD | |
| P-Xylene SCHEMBL20212304 | 0.88 | ALDH1A1 (0.61) | ALDH1A1HTTLMNANPSR1HPGD | |
| Maleic Acid SCHEMBL29876105 | 0.88 | ALDH1A1 (0.61) | ALDH1A1HTTLMNANPSR1HPGD | |
| Maleic Acid SCHEMBL27777463 | 0.87 | ALDH1A1 (0.59) | ALDH1A1HTTLMNANPSR1HPGD | |
| SCHEMBL711570 | 0.86 | ALDH1A1 (1.00) | ALDH1A1HTTLMNANPSR1HPGD | |
| SCHEMBL711571 | 0.86 | ALDH1A1 (1.00) | ALDH1A1HTTLMNANPSR1HPGD | |
| SCHEMBL16226344 | 0.86 | ALDH1A1 (1.00) | ALDH1A1HTTLMNANPSR1HPGD | |
| Maleic Acid SCHEMBL8864871 | 0.84 | ALDH1A1 (0.57) | ALDH1A1HTTLMNANPSR1HPGD |
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 |