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 | 4/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | LPL | P06858 | 1/20 | 0.41 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.41 |
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 SCHEMBL4257237 | 0.93 | ACHE (0.61) | ACHETDP1LMNATSHRALOX12 | |
| P-Xylene SCHEMBL28321095 | 0.93 | ACHE (0.61) | ACHETDP1LMNATSHRALOX12 | |
| P-Xylene SCHEMBL28248643 | 0.93 | ACHE (0.61) | ACHETDP1LMNATSHRALOX12 | |
| P-Xylene SCHEMBL9720606 | 0.93 | ACHE (0.61) | ACHETDP1LMNATSHRALOX12 | |
| Toluene SCHEMBL5198578 | 0.90 | ACHE (0.69) | ACHETDP1LMNATSHRALOX12 | |
| Toluene SCHEMBL5199381 | 0.90 | ACHE (0.69) | ACHETDP1LMNATSHRALOX12 | |
| Toluene SCHEMBL28769535 | 0.90 | ACHE (0.69) | ACHETDP1LMNATSHRALOX12 | |
| Toluene SCHEMBL22729215 | 0.90 | ACHE (0.69) | ACHETDP1LMNATSHRALOX12 | |
| Toluene SCHEMBL27342895 | 0.90 | ACHE (0.69) | ACHETDP1LMNATSHRALOX12 | |
| Toluene SCHEMBL20027 | 0.90 | ACHE (0.69) | ACHETDP1LMNATSHRALOX12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103858870-B | Semen arachidis hypogaeae degeneration-resistant border lodging resistant production gain conditioning agent, its preparation method and application thereof | 中国农业科学院作物科学研究所 | 2016-08-24 | — | — | CN | disclosed |