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 | 3/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.61 |
| ▸ | ACHE | P22303 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
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 SCHEMBL248686 | 0.97 | LMNA (0.65) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL11123126 | 0.97 | LMNA (0.65) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL3670161 | 0.94 | LMNA (0.61) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL2904564 | 0.94 | LMNA (0.61) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL27784842 | 0.94 | LMNA (0.61) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL6518753 | 0.94 | LMNA (0.61) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL28004549 | 0.94 | LMNA (0.61) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL7627695 | 0.94 | LMNA (0.61) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL5070324 | 0.94 | LMNA (0.61) | LMNATSHRALOX12ACHESMN1; SMN2 | |
| Toluene SCHEMBL28219186 | 0.94 | LMNA (0.61) | LMNATSHRALOX12ACHESMN1; SMN2 |
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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101766183-A | Sanitary disinfectant | QIAOYUN SHA | 2010-07-07 | — | — | CN | claimed |
| CN-105778096-B | The manufacturing method and application of the silicone resin of alkenyl containing benzocyclobutane | 中国科学院上海有机化学研究所 | 2019-03-15 | — | — | CN | disclosed |
| US-20180303732-A1 | BIODEGRADABLE COATINGS AND PAINTS | DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC (US) | 2018-10-25 | — | — | US | disclosed |
| US-20170216171-A1 | BIODEGRADABLE COMPOSITIONS COMPRISING RENEWABLY-BASED, BIODEGRADABLE 1,3-PROPANEDIOL | DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC (US) | 2017-08-03 | — | — | US | disclosed |
| CN-101955735-B | The connection structural bodies of the circuit block of adhesive composite and use said composition | 日立化成株式会社 | 2016-09-14 | — | — | CN | disclosed |
| CN-103380110-A | Industrial process for the production of arylsulfur pentafluorides | UBE INDUSTRIES | 2013-10-30 | — | — | CN | disclosed |
| CN-103246163-A | Colored curable resin composition | SUMITOMO CHEMICAL CO | 2013-08-14 | — | — | CN | disclosed |
| US-20130071535-A1 | FOOD AND FLAVORANT COMPOSITIONS COMPRISING RENEWABLY-BASED, BIODEGRADABLE 1,3-PROPANEDIOL | DUPONT TATE & LYLE BIO PRODUCTS COMPANY, LLC (US) | 2013-03-21 | — | — | US | disclosed |
| CN-101766183-A | Sanitary disinfectant | QIAOYUN SHA | 2010-07-07 | — | — | CN | disclosed |
| CN-101115825-B | A solid laundry detergent composition | PROCTER & GAMBLE | 2010-06-16 | — | — | CN | disclosed |
| US-4957731-A | CONDITIONERS, QUATERNIZED LACTAMS | GAF CHEMICALS CORPORATION (US) | 1990-09-18 | — | — | US | disclosed |
| EP-0367257-A1 | N-alkyl neoalkanamide insect repellents | Colgate-Palmolive Company (US) | 1990-05-09 | — | — | EP | disclosed |
| US-4912173-A | Hydrolysis of poly(acetoxystyrene) in aqueous suspension | HOECHST CELANESE CORPORATION (US) | 1990-03-27 | — | — | US | disclosed |
| US-4885158-A | Heat stable quaternized lactams having oxylated sulfur anions | GAF CORPORATION (US) | 1989-12-05 | — | — | US | disclosed |
| WO-1989010115-A1 | HAIR PROCESSING ADDITIVES | GAF CHEMICALS CORPORATION (US) | 1989-11-02 | — | — | WO | disclosed |
| WO-1989010358-A1 | HEAT STABLE QUATERNIZED LACTAMS HAVING OXYLATED SULFUR ANIONS | GAF CHEMICALS CORPORATION (US) | 1989-11-02 | — | — | WO | disclosed |
| EP-0314488-A2 | Hydrolysis of poly (acetoxystyrene) in aqueous suspension | HOECHST CELANESE CORPORATION (US) | 1989-05-03 | — | — | EP | disclosed |
| US-4822862-A | Emulsion polymerization of 4-acetoxystyrene and hydrolysis to poly(p-vinylphenol | HOECHST CELANESE CORPORATION (US) | 1989-04-18 | — | — | US | disclosed |
| US-4804683-A | REPELLING COCKROACHES | COLGATE-PALMOLIVE COMPANY (US) | 1989-02-14 | — | — | US | disclosed |
| EP-0277721-A2 | Emulsion polymerization of 4-acetoxystyrene and hydrolysis to poly(p-vinylphenol) | HOECHST CELANESE CORPORATION (US) | 1988-08-10 | — | — | EP | disclosed |