Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.67 |
| ▸ | TSHR | P16473 | 2/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 2/20 | 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 SCHEMBL28319912 | 1.00 | ACHE (0.67) | ACHETSHRALDH1A1CYP1A2KDM4E | |
| O-Xylene SCHEMBL28105858 | 1.00 | ACHE (0.67) | ACHETSHRALDH1A1CYP1A2KDM4E | |
| O-Xylene SCHEMBL1019179 | 1.00 | ACHE (0.67) | ACHETSHRALDH1A1CYP1A2KDM4E | |
| O-Xylene SCHEMBL28276472 | 0.97 | TSHR (0.62) | ACHETSHRALDH1A1CYP1A2KDM4E | |
| O-Xylene SCHEMBL27577702 | 0.97 | ACHE (0.62) | ACHETSHRALDH1A1CYP1A2KDM4E | |
| O-Xylene SCHEMBL7814951 | 0.97 | ACHE (0.62) | ACHETSHRALDH1A1CYP1A2KDM4E | |
| O-Xylene SCHEMBL27967123 | 0.91 | TSHR (0.56) | ACHETSHRALDH1A1CYP1A2KDM4E | |
| O-Xylene SCHEMBL29201518 | 0.91 | ACHE (0.56) | ACHETSHRALDH1A1CYP1A2KDM4E | |
| O-Xylene SCHEMBL28099021 | 0.89 | TSHR (0.58) | ACHETSHRALDH1A1CYP1A2KDM4E | |
| O-Xylene SCHEMBL27517378 | 0.89 | TSHR (0.53) | ACHETSHRALDH1A1CYP1A2KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4246382-A | CHAIN TRANSFER AGENT | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1981-01-20 | — | — | US | disclosed |