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 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.33 |
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 SCHEMBL19133582 | 0.91 | LMNA (0.48) | LMNATSHRALOX12ACHEALDH1A1 | |
| Toluene SCHEMBL19133579 | 0.89 | LMNA (0.50) | LMNATSHRALOX12ACHEALDH1A1 | |
| Toluene SCHEMBL6659437 | 0.87 | LMNA (0.52) | LMNATSHRALOX12ACHEALDH1A1 | |
| Toluene SCHEMBL3710402 | 0.86 | LMNA (0.37) | LMNATSHRALOX12ACHEALDH1A1 | |
| Toluene SCHEMBL10989967 | 0.85 | LMNA (0.46) | LMNATSHRALOX12ACHEALDH1A1 | |
| Toluene SCHEMBL5725705 | 0.80 | TSHR (0.55) | LMNATSHRALOX12ACHEALDH1A1 | |
| Toluene SCHEMBL434566 | 0.80 | TSHR (0.61) | LMNATSHRALOX12ACHEALDH1A1 | |
| Toluene SCHEMBL11479355 | 0.80 | LMNA (0.61) | LMNATSHRALOX12ACHEALDH1A1 | |
| Toluene SCHEMBL3278606 | 0.78 | LMNA (0.58) | LMNATSHRALOX12ACHEALDH1A1 | |
| Toluene SCHEMBL4266725 | 0.78 | TSHR (0.58) | LMNATSHRALOX12ACHEALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-10881106-B2 | Herbicidal pyridazinone compounds | SYNGENTA PARTICIPATIONS AG (CH) | 2021-01-05 | — | — | US | disclosed |
| US-20200054012-A1 | HERBICIDAL PYRIDAZINONE COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2020-02-20 | — | — | 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 (2 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-20200054012-A1 | HERBICIDAL PYRIDAZINONE COMPOUNDS | CYP1B1, NQO2, CBR3 | LMNA 2693/4885TSHR 502/4885ALOX12 2923/4885 |
| US-10881106-B2 | Herbicidal pyridazinone compounds | CYP1B1, NQO2, CBR3 | LMNA 2693/4885TSHR 502/4885ALOX12 2923/4885 |
“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.