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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3459786 | 0.95 | CYP1A2 (0.65) | CYP1A2CYP2C9MAP1LC3BALDH1A1POLB | |
| SCHEMBL10387619 | 0.92 | CYP1A2 (0.61) | CYP1A2CYP2C9MAP1LC3BALDH1A1POLB | |
| Sulfuric Acid SCHEMBL31183034 | 0.91 | CYP1A2 (0.84) | CYP1A2CYP2C9ALDH1A1GLAMAPK1 | |
| SCHEMBL2729317 | 0.89 | CYP1A2 (0.80) | CYP1A2CYP2C9ALDH1A1TSHR | |
| SCHEMBL31278334 | 0.88 | CYP1A2 (0.59) | CYP1A2CYP2C9ALDH1A1POLBTSHR | |
| SCHEMBL9436866 | 0.88 | CYP1A2 (0.59) | CYP1A2CYP2C9ALDH1A1POLBMAPK1 | |
| SCHEMBL335422 | 0.88 | CYP1A2 (0.59) | CYP1A2CYP2C9ALDH1A1POLBTSHR | |
| SCHEMBL9194077 | 0.88 | CYP1A2 (0.61) | CYP1A2CYP2C9MAP1LC3BALDH1A1POLB | |
| SCHEMBL9806106 | 0.88 | CYP1A2 (0.61) | CYP1A2CYP2C9ALDH1A1POLBTP53 | |
| SCHEMBL5484470 | 0.87 | CYP1A2 (0.63) | CYP1A2CYP2C9ALDH1A1POLBTP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-20120226258-A1 | DEVICE AND METHOD FOR ELIMINATING BIOLOGICALLY HARMFUL SUBSTANCES FROM BODILY FLUIDS | HEMOTEQ AG (DE) | 2012-09-06 | — | — | US | disclosed |
| US-7838306-B2 | Adsorbent having differently modified surface areas, method for the production thereof and use of the same | FRESENIUS MEDICAL CARE DEUTSCHLAND GMBH (DE) | 2010-11-23 | — | — | US | disclosed |
| US-20040202783-A1 | Adsorbent having differently modified surface areas, method for the production thereof and use of the same | FRESENIUS MEDICAL CARE DEUTSCHLAND GMBH (DE) | 2004-10-14 | — | — | US | disclosed |