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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | MYC | P01106 | 1/20 | 0.48 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.47 |
| ▸ | FEN1 | P39748 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 SCHEMBL7648216 | 0.94 | TSHR (0.62) | TSHRACHEMYCERCC5FEN1 | |
| O-Xylene SCHEMBL28603302 | 0.94 | TSHR (0.62) | TSHRACHEMYCERCC5FEN1 | |
| P-Xylene SCHEMBL28594820 | 0.86 | CES2 (0.56) | TSHRACHEERCC5FEN1CES2 | |
| O-Xylene SCHEMBL27848444 | 0.86 | TSHR (0.59) | TSHRACHEMYCERCC5FEN1 | |
| O-Xylene SCHEMBL32679707 | 0.86 | TSHR (0.59) | TSHRACHEMYCERCC5FEN1 | |
| O-Xylene SCHEMBL7498508 | 0.85 | TSHR (0.67) | TSHRACHEMYCERCC5FEN1 | |
| O-Xylene SCHEMBL28509799 | 0.85 | TSHR (0.67) | TSHRACHEMYCERCC5FEN1 | |
| O-Xylene SCHEMBL9693080 | 0.83 | TSHR (0.56) | TSHRACHEMYCERCC5FEN1 | |
| O-Xylene SCHEMBL6463786 | 0.82 | TSHR (0.62) | TSHRACHEMYCCES2CES1 | |
| O-Xylene SCHEMBL1723905 | 0.82 | TSHR (0.62) | TSHRACHEMYCERCC5FEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1139580-C | Substituted benzylamines and their use for the treatment of depression | ��˹��ŵ�� | 2004-02-25 | — | — | CN | disclosed |
| CN-1219169-A | Substituted benzylamines and their use for the treatment of depression | AKZO NOBEL NV (NL) | 1999-06-09 | — | — | CN | disclosed |