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 | 2/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 SCHEMBL2781386 | 0.89 | ACHE (0.48) | LMNAALOX12ACHETSHRSMN1; SMN2 | |
| SCHEMBL30099886 | 0.87 | LMNA (0.49) | LMNAALOX12HTTSMN1; SMN2CA12 | |
| SCHEMBL103421 | 0.87 | LMNA (0.49) | LMNAALOX12HTTSMN1; SMN2CA12 | |
| SCHEMBL28560059 | 0.85 | HDAC8 (0.39) | LMNAACHETSHRHTTSMN1; SMN2 | |
| Toluene SCHEMBL11059058 | 0.82 | LMNA (0.41) | LMNAALOX12ACHETSHRHTT | |
| SCHEMBL8964185 | 0.82 | SMN1; SMN2 (0.43) | LMNATSHRHTTSMN1; SMN2CA12 | |
| Methylene Chloride SCHEMBL2455819 | 0.82 | LMNA (0.48) | LMNAACHEHTTSMN1; SMN2CA12 | |
| SCHEMBL9421194 | 0.81 | NPSR1 (0.39) | LMNAACHEHTTSMN1; SMN2HDAC8 | |
| Trifluoromethanesulfonic Acid SCHEMBL4469432 | 0.81 | GPR3 (0.43) | ACHE | |
| SCHEMBL5252159 | 0.81 | SMN1; SMN2 (0.45) | LMNATSHRHTTSMN1; SMN2GAA |
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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6953788-B1 | 3-mercaptoacetylamino-1,5-substituted-2-oxo-azepan derivatives useful as inhibitors of matrix metalloproteinase | AVENTIS PHARMACEUTICALS INC. (US) | 2005-10-11 | — | — | US | disclosed |
| US-6770640-B1 | EMPHYSEMA | AVENTIS PHARMACEUTICALS INC. | 2004-08-03 | — | — | US | disclosed |
| EP-1140818-B1 | AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE | AVENTIS PHARMA INC (US) | 2003-09-10 | — | — | EP | disclosed |
| US-6544980-B2 | For treating neoplasms, atherosclerosis, and chronic inflammatory diseases | AVENTIS PHARMACEUTICALS INC. | 2003-04-08 | — | — | US | disclosed |
| EP-1150976-B1 | 3-(THIO-SUBSTITUTED AMIDO)-LACTAMS USEFUL AS INHIBITORS OF MATRIX METALLOPROTEINASE | AVENTIS PHARMA INC (US) | 2003-02-26 | — | — | EP | disclosed |
| EP-1140984-B1 | SELECTIVE INHIBITORS OF MMP-12 | AVENTIS PHARMA INC (US) | 2003-02-12 | — | — | EP | disclosed |
| EP-0928291-B1 | 3-MERCAPTOACETYLAMINO-1,5-SUBSTITUTED-2-OXO-AZEPAN DERIVATIVES USEFUL AS INHIBITORS OF MATRIX METALLOPROTEINASE | AVENTIS PHARMA INC (US) | 2002-12-04 | — | — | EP | disclosed |
| US-6486193-B2 | ANTIARTHRITIC AGENTS; ANTIINFLAMMATORY AGENTS | AVENTIS PHARMACEUTICALS INC. | 2002-11-26 | — | — | US | disclosed |
| US-20020095035-A1 | N-carboxymethyl substituted benzolactams as inhibitors of matrix metalloproteinase | WARSHAWSKY ALAN M (US) | 2002-07-18 | — | — | US | disclosed |
| US-20020037859-A1 | 3-substituted pyrrolidines useful as inhibitors of matrix metalloproteinases | AVENTISUB INC. | 2002-03-28 | — | — | US | disclosed |
| WO-1998012211-A1 | 3-MERCAPTOACETYLAMINO-1,5-SUBSTITUTED-2-OXO-AZEPAN DERIVATIVES USEFUL AS INHIBITORS OF MATRIX METALLOPROTEINASE | HOECHST MARION ROUSSEL, INC. (US) | 1998-03-26 | — | — | WO | disclosed |
| US-5624921-A | Hypotriglyceridemic aminoacetylmercapto derivatives | MERRELL PHARMACEUTICALS INC. (US) | 1997-04-29 | — | — | US | disclosed |
| US-5602122-A | Method for lowering total serum cholesterol and treating hypercholesterolemia with aminoacetylmercapto derivatives | MERRELL PHARMACEUTICALS INC. (US) | 1997-02-11 | — | — | US | disclosed |
| EP-0751783-A1 | HYPOCHOLESTEROLEMIC, ANTIATHEROSCLEROTIC AND HYPOTRIGLYCERIDEMIC AMINOACETYLMERCAPTO DERIVATIVES | MERRELL PHARMACEUTICALS INC. (US) | 1997-01-08 | — | — | EP | disclosed |
| US-5529995-A | Aminoacetylmercapto derivatives useful as inhibitors of enkephalinase and ACE | MERRELL DOW PHARMACEUTICALS INC. (US) | 1996-06-25 | — | — | US | disclosed |
| US-5488048-A | Aminoacetylmercapto derivatives useful as inhibitors of enkephalinase and ace | MERRELL DOW PHARMACEUTICALS INC. (US) | 1996-01-30 | — | — | US | disclosed |
| WO-1995025532-A1 | HYPOCHOLESTEROLEMIC, ANTIATHEROSCLEROTIC AND HYPOTRIGLYCERIDEMIC AMINOACETYLMERCAPTO DERIVATIVES | MERRELL PHARMACEUTICALS INC. (US) | 1995-09-28 | — | — | WO | disclosed |
| US-5424425-A | Aminoacetylmercapto derivatives useful as inhibitors of enkephalinase and ace | MERRELL DOW PHARMACEUTICALS INC. (US) | 1995-06-13 | — | — | US | disclosed |
| EP-0625987-A1 | AMINOACETYLMERCAPTOACETYLAMIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE | MERRELL PHARMACEUTICALS INC. (US) | 1994-11-30 | — | — | EP | disclosed |
| WO-1993016103-A1 | AMINOACETYLMERCAPTOACETYLAMIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-08-19 | — | — | WO | 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-20020095035-A1 | N-carboxymethyl substituted benzolactams as inhibitors of matrix metalloproteinase | MMP17, MMP26, MMP16 | LMNA 1333/4885ALOX12 243/4885ACHE 3098/4885 |
| US-20020037859-A1 | 3-substituted pyrrolidines useful as inhibitors of matrix metalloproteinases | MMP3, MMP1, MMP9 | LMNA 1539/4885ALOX12 505/4885ACHE 1554/4885 |
“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.