Known targets — ChEMBL curated mechanism
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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.34 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.34 |
| ▸ | GCGR | P47871 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| O-Xylene SCHEMBL9150349 | 0.90 | ALDH1A1 (0.44) | ALDH1A1KDM4ECYP1A2TSHRACHE | |
| O-Xylene SCHEMBL30279310 | 0.88 | ALDH1A1 (0.55) | ALDH1A1KDM4ETSHRACHESMN1; SMN2 | |
| O-Xylene SCHEMBL195066 | 0.88 | ALDH1A1 (0.55) | ALDH1A1KDM4ETSHRACHESMN1; SMN2 | |
| O-Xylene SCHEMBL10683039 | 0.86 | ALDH1A1 (0.52) | ALDH1A1KDM4ETSHRACHESMN1; SMN2 | |
| O-Xylene SCHEMBL11403331 | 0.85 | ACHE (0.53) | ALDH1A1KDM4ECYP1A2TSHRTDP1 | |
| O-Xylene SCHEMBL27789286 | 0.84 | LMNA (0.40) | ALDH1A1KDM4ECYP1A2TSHRTDP1 | |
| O-Xylene SCHEMBL27572158 | 0.84 | ALDH1A1 (0.38) | ALDH1A1KDM4ECYP1A2TSHRTDP1 | |
| O-Xylene SCHEMBL29084626 | 0.81 | SMN1; SMN2 (0.57) | ALDH1A1TSHRACHESMN1; SMN2LMNA | |
| Propylene Glycol SCHEMBL4671312 | 0.81 | ALDH1A1 (0.65) | ALDH1A1KDM4ECYP1A2TSHRTDP1 | |
| O-Xylene SCHEMBL28310549 | 0.80 | TSHR (0.46) | ALDH1A1TSHRACHESMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0460936-B1 | Methanol copolymerization of ethylene | DU PONT (US) | 1996-01-31 | — | — | EP | disclosed |
| EP-0460936-A1 | Methanol copolymerization of ethylene | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-12-11 | — | — | EP | disclosed |
| US-5028674-A | Methanol copolymerization of ethylene | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-07-02 | — | — | US | disclosed |