Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of P-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 | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | LPL | P06858 | 1/20 | 0.45 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.45 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.45 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.45 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.45 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| P-Xylene SCHEMBL9720606 | 1.00 | ACHE (0.61) | ACHETDP1GAAALDH1A1TSHR | |
| P-Xylene SCHEMBL4257237 | 1.00 | ACHE (0.61) | ACHETDP1GAAALDH1A1TSHR | |
| P-Xylene SCHEMBL28321095 | 1.00 | ACHE (0.61) | ACHETDP1GAAALDH1A1TSHR | |
| P-Xylene SCHEMBL7814949 | 0.96 | ACHE (0.57) | ACHETDP1GAAALDH1A1TSHR | |
| P-Xylene SCHEMBL28093113 | 0.93 | ACHE (0.53) | ACHETDP1GAAALDH1A1TSHR | |
| P-Xylene SCHEMBL28886763 | 0.90 | ACHE (0.50) | ACHETDP1GAAALDH1A1TSHR | |
| P-Cresol SCHEMBL8158679 | 0.87 | ACHE (0.77) | ACHETDP1GAAALDH1A1TSHR | |
| P-Xylene SCHEMBL4079357 | 0.86 | ACHE (0.53) | ACHETDP1GAAALDH1A1CA2 | |
| Alcohol SCHEMBL1568943 | 0.85 | IDO1 (0.48) | ACHETDP1ALDH1A1TSHRIDO1 | |
| Alcohol SCHEMBL3952222 | 0.85 | ACHE (0.72) | ACHETDP1GAAALDH1A1TSHR |
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-110320369-A | A kind of diagnosing bladder cancer kit | 天津医科大学第二医院 | 2019-10-11 | — | — | CN | disclosed |
| CN-108635508-A | Application of the dendrobium stem alkaloids in preparing antiaging agent | 遵义医学院 | 2018-10-12 | — | — | CN | disclosed |