Known targets — ChEMBL curated mechanism
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
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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.62 |
| ▸ | ACHE | P22303 | 2/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | MYC | P01106 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | GMNN | O75496 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 SCHEMBL29725142 | 1.00 | TSHR (0.62) | TSHRACHESMN1; SMN2ALDH1A1NPC1 | |
| O-Xylene SCHEMBL6155104 | 1.00 | TSHR (0.62) | TSHRACHESMN1; SMN2ALDH1A1NPC1 | |
| O-Xylene SCHEMBL10476945 | 0.97 | TSHR (0.59) | TSHRACHESMN1; SMN2ALDH1A1NPC1 | |
| O-Xylene SCHEMBL28038085 | 0.97 | TSHR (0.59) | TSHRACHESMN1; SMN2ALDH1A1NPC1 | |
| O-Xylene SCHEMBL6364680 | 0.97 | TSHR (0.59) | TSHRACHESMN1; SMN2ALDH1A1NPC1 | |
| O-Xylene SCHEMBL3381229 | 0.97 | TSHR (0.59) | TSHRACHESMN1; SMN2ALDH1A1NPC1 | |
| O-Xylene SCHEMBL28471142 | 0.97 | TSHR (0.59) | TSHRACHESMN1; SMN2ALDH1A1NPC1 | |
| O-Xylene SCHEMBL6364677 | 0.97 | TSHR (0.59) | TSHRACHESMN1; SMN2ALDH1A1NPC1 | |
| O-Xylene SCHEMBL28038086 | 0.97 | TSHR (0.59) | TSHRACHESMN1; SMN2ALDH1A1NPC1 | |
| O-Xylene SCHEMBL11776221 | 0.88 | TSHR (0.56) | TSHRACHESMN1; SMN2ALDH1A1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114929849-A | Redeposition-inhibiting polymer and detergent composition containing same | 路博润先进材料公司 | 2022-08-19 | — | — | CN | disclosed |
| CN-105732257-B | A kind of separation method of mixed xylenes | 南京师范大学 | 2018-01-05 | — | — | CN | disclosed |
| CN-105732257-A | Separation method of mixed xylenes | 南京师范大学 | 2016-07-06 | — | — | CN | disclosed |