Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Toluene. 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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 5/20 | 0.58 |
| ▸ | ACHE | P22303 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL22729215 | 0.92 | ACHE (0.69) | LMNAACHETSHRALOX12NPC1 | |
| Toluene SCHEMBL5199381 | 0.92 | ACHE (0.69) | LMNAACHETSHRALOX12NPC1 | |
| Toluene SCHEMBL6443613 | 0.92 | ACHE (0.69) | LMNAACHETSHRALOX12NPC1 | |
| Toluene SCHEMBL27342895 | 0.92 | ACHE (0.69) | LMNAACHETSHRALOX12NPC1 | |
| Toluene SCHEMBL28769535 | 0.92 | ACHE (0.69) | LMNAACHETSHRALOX12NPC1 | |
| Toluene SCHEMBL5198578 | 0.92 | ACHE (0.69) | LMNAACHETSHRALOX12NPC1 | |
| Toluene SCHEMBL11136681 | 0.92 | ACHE (0.69) | LMNAACHETSHRALOX12NPC1 | |
| Toluene SCHEMBL20027 | 0.92 | ACHE (0.69) | LMNAACHETSHRALOX12NPC1 | |
| Toluene SCHEMBL9136056 | 0.89 | LMNA (0.65) | LMNAACHETSHRALOX12NPC1 | |
| Toluene SCHEMBL19136016 | 0.89 | LMNA (0.65) | LMNAACHETSHRALOX12NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0602286-A1 | 3-Substituted benzoyl-bicyclo 4,I,0 heptane-2,4-dione derivatives as herbicides | NIPPON SODA CO., LTD. (JP) | 1994-06-22 | — | — | EP | disclosed |