Known targets — ChEMBL curated mechanism
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 | 3/20 | 0.69 |
| ▸ | TSHR | P16473 | 2/20 | 0.69 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.69 |
| ▸ | ACHE | P22303 | 1/20 | 0.69 |
| ▸ | CES2 | O00748 | 2/20 | 0.56 |
| ▸ | CES1 | P23141 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | VCP | P55072 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL11431168 | 0.97 | LMNA (0.65) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL7355317 | 0.97 | LMNA (0.73) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL48134 | 0.97 | LMNA (0.73) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL27369787 | 0.97 | LMNA (0.73) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL2914390 | 0.97 | LMNA (0.73) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL7096668 | 0.94 | LMNA (0.69) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL7092275 | 0.94 | LMNA (0.69) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL3032586 | 0.94 | LMNA (0.69) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL28238801 | 0.94 | LMNA (0.69) | LMNATSHRALOX12ACHECES2 | |
| Toluene SCHEMBL27700453 | 0.94 | LMNA (0.69) | LMNATSHRALOX12ACHECES2 |
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-20080103123-A1 | New compounds | BIOVITRUM (SE) | 2008-05-01 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080103123-A1 | New compounds | GPR119, GPR139, GPR180 | LMNA 3699/4885TSHR 488/4885ALOX12 351/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.