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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | HTR2C | P28335 | 5/20 | 0.54 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.54 |
| ▸ | HTR7 | P34969 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 3/20 | 0.42 |
| ▸ | HTR3A | P46098 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.40 |
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 SCHEMBL17698412 | 1.00 | ACHE (0.62) | ACHETSHRHTR2CADRB1HTR7 | |
| O-Xylene SCHEMBL28188652 | 0.88 | ACHE (0.62) | ACHETSHRHTR2CADRB1HTR7 | |
| O-Xylene SCHEMBL28069090 | 0.86 | TSHR (0.53) | ACHETSHRHTR2CADRB1HTR7 | |
| O-Xylene SCHEMBL27991704 | 0.85 | TSHR (0.59) | ACHETSHRHTR2CADRB1HTR7 | |
| O-Xylene SCHEMBL25401001 | 0.83 | TSHR (0.91) | ACHETSHRLMNAALDH1A1CA1 | |
| O-Xylene SCHEMBL9420966 | 0.83 | TSHR (0.91) | ACHETSHRADRB1LMNAALDH1A1 | |
| O-Xylene SCHEMBL25404325 | 0.83 | — | — | |
| O-Xylene SCHEMBL9420939 | 0.83 | — | — | |
| O-Xylene SCHEMBL28284648 | 0.79 | TSHR (0.83) | ACHETSHRLMNAALDH1A1CA1 | |
| O-Xylene SCHEMBL11035539 | 0.79 | TSHR (1.00) | ACHETSHRLMNAALDH1A1CA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109985278-A | A kind of compound guiding osteanagenesis film and its preparation method and application | 华东理工大学 | 2019-07-09 | — | — | CN | disclosed |
| CN-1115673-A | Aminotic membrane graft or wrap to prevent adhesions or bleeding of internal organs | RES DEV FOUNDATION (US) | 1996-01-31 | — | — | CN | disclosed |
| EP-0482052-A1 | COATING COMPOSITIONS. | COURTAULDS COATINGS HOLDINGS (GB) | 1992-04-29 | — | — | EP | disclosed |
| WO-1991000894-A1 | COATING COMPOSITIONS | COURTAULDS COATINGS (HOLDINGS) LIMITED (GB) | 1991-01-24 | — | — | WO | disclosed |