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 | |
|---|---|---|---|---|
| ▸ | ALOX12 | P18054 | 2/20 | 0.61 |
| ▸ | ACHE | P22303 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | CA12 | O43570 | 6/20 | 0.48 |
| ▸ | CA9 | Q16790 | 6/20 | 0.48 |
| ▸ | CA2 | P00918 | 5/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 4/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
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 SCHEMBL7340462 | 0.97 | ALOX12 (0.58) | ALOX12ACHELMNATSHRCA12 | |
| Toluene SCHEMBL5070325 | 0.94 | ALOX12 (0.61) | ALOX12ACHELMNATSHRCA12 | |
| Toluene SCHEMBL27819482 | 0.94 | ALOX12 (0.61) | ALOX12ACHELMNATSHRCA12 | |
| Toluene SCHEMBL7528835 | 0.94 | ALOX12 (0.61) | ALOX12ACHELMNATSHRCA12 | |
| Toluene SCHEMBL28004426 | 0.94 | ALOX12 (0.61) | ALOX12ACHELMNATSHRCA12 | |
| Toluene SCHEMBL6518752 | 0.94 | ALOX12 (0.61) | ALOX12ACHELMNATSHRCA12 | |
| Toluene SCHEMBL2778247 | 0.94 | ALOX12 (0.61) | ALOX12ACHELMNATSHRCA12 | |
| Toluene SCHEMBL8100461 | 0.92 | ALOX12 (0.58) | ALOX12ACHELMNATSHRCA12 | |
| Toluene SCHEMBL2780838 | 0.92 | ALOX12 (0.58) | ALOX12ACHELMNATSHRCA12 | |
| Toluene SCHEMBL7340467 | 0.90 | TSHR (0.55) | ALOX12ACHELMNATSHRCA12 |
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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170154737-A1 | POLYELECTROLYTE, PRODUCTION AND USE THEREOF IN ENERGY STORAGE DEVICES | CITY UNIVERSITY OF HONG KONG (HK) | 2017-06-01 | — | — | US | claimed |
| CN-101766183-A | Sanitary disinfectant | QIAOYUN SHA | 2010-07-07 | — | — | CN | claimed |
| US-20210013551-A1 | ELECTRICAL ENERGY STORAGE DEVICE, AN ELECTROLYTE FOR USE IN AN ELECTRICAL ENERGY STORAGE DEVICE, AND A METHOD OF PREPARING THE DEVICE | CITY UNIVERSITY OF HONG KONG (HK) | 2021-01-14 | — | — | US | disclosed |
| 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-9972451-B2 | Polyelectrolyte and a method for manufacturing an energy storage device | CITY UNIVERSITY OF HONG KONG (HK) | 2018-05-15 | — | — | US | disclosed |
| CN-104557646-B | Produce the commercial run of arylsulfur pentafluorides | 宇部兴产株式会社 | 2017-08-29 | — | — | CN | 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-106946755-A | Produce the commercial run of arylsulfur pentafluorides | 宇部兴产株式会社 | 2017-07-14 | — | — | CN | disclosed |
| US-20170154737-A1 | POLYELECTROLYTE, PRODUCTION AND USE THEREOF IN ENERGY STORAGE DEVICES | CITY UNIVERSITY OF HONG KONG (HK) | 2017-06-01 | — | — | 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 |
| 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 |