Known targets — ChEMBL curated mechanism
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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 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.32 |
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 SCHEMBL21715053 | 0.86 | LMNA (0.39) | LMNATSHRALOX12ACHECHRM2 | |
| Toluene SCHEMBL6659437 | 0.84 | LMNA (0.52) | LMNATSHRALOX12ACHECHRM2 | |
| Toluene SCHEMBL4779666 | 0.80 | LMNA (0.52) | LMNATSHRALOX12ACHEMAPT | |
| Toluene SCHEMBL735933 | 0.80 | ACHE (0.58) | LMNATSHRALOX12ACHEALDH1A1 | |
| Toluene SCHEMBL4734054 | 0.78 | LMNA (0.50) | LMNATSHRALOX12ACHEMAPT | |
| Toluene SCHEMBL5725705 | 0.78 | TSHR (0.55) | LMNATSHRALOX12ACHECHRM2 | |
| Toluene SCHEMBL434566 | 0.78 | TSHR (0.61) | LMNATSHRALOX12ACHECHRM2 | |
| Benzenethiol SCHEMBL4339471 | 0.77 | CHRM1 (0.35) | CHRM2CHRM1HTR1AADRA2ADRD1 | |
| Toluene SCHEMBL19133582 | 0.76 | LMNA (0.48) | LMNATSHRALOX12ACHEALDH1A1 | |
| Toluene SCHEMBL3278606 | 0.75 | LMNA (0.58) | LMNATSHRALOX12ACHECHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014154829-A1 | HERBICIDAL COMPOUNDS | SYNGENTA LIMITED (GB) | 2014-10-02 | — | — | WO | disclosed |
| WO-2010112826-A2 | HERBICIDAL COMPOUNDS | SYNGENTA LIMITED (GB) | 2010-10-07 | — | — | WO | disclosed |