Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.65 |
| ▸ | TSHR | P16473 | 3/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 3/20 | 0.52 |
| ▸ | CA12 | O43570 | 3/20 | 0.52 |
| ▸ | CA9 | Q16790 | 3/20 | 0.52 |
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
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 SCHEMBL2419102 | 0.98 | SMN1; SMN2 (0.62) | SMN1; SMN2TSHRCYP2D6MAPK1LMNA | |
| Toluene SCHEMBL10924679 | 0.98 | TSHR (0.68) | SMN1; SMN2TSHRCYP2D6MAPK1LMNA | |
| SCHEMBL932442 | 0.95 | SMN1; SMN2 (0.73) | SMN1; SMN2TSHRCYP2D6MAPK1LMNA | |
| SCHEMBL13836876 | 0.95 | SMN1; SMN2 (0.73) | SMN1; SMN2TSHRCYP2D6MAPK1LMNA | |
| Benzene SCHEMBL5085625 | 0.95 | SMN1; SMN2 (0.64) | SMN1; SMN2TSHRCYP2D6MAPK1LMNA | |
| Water SCHEMBL14660542 | 0.93 | SMN1; SMN2 (0.70) | SMN1; SMN2TSHRCYP2D6MAPK1LMNA | |
| Toluene SCHEMBL1410208 | 0.93 | TSHR (0.76) | SMN1; SMN2TSHRCYP2D6MAPK1LMNA | |
| Benzene SCHEMBL28320383 | 0.93 | SMN1; SMN2 (0.61) | SMN1; SMN2TSHRCYP2D6MAPK1LMNA | |
| Hydrogen Peroxide SCHEMBL29268503 | 0.93 | SMN1; SMN2 (0.59) | SMN1; SMN2TSHRCYP2D6MAPK1LMNA | |
| Sulfuric Acid SCHEMBL14660473 | 0.91 | SMN1; SMN2 (0.67) | SMN1; SMN2TSHRCYP2D6MAPK1LMNA |
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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101928559-B | Aggregation-induced light emitting material simultaneously containing triphenylethylene structure and tetraphenylethylene structure and synthesis method and application thereof | UNIV SUN YAT SEN | 2014-02-19 | — | — | CN | claimed |
| CN-116745084-A | Cellulose ester compositions and articles made therefrom | 国际人造丝公司 | 2023-09-12 | — | — | CN | disclosed |
| CN-116425777-A | Condensed-cyclic compound and organic electroluminescent device comprising same | 三星电子株式会社 | 2023-07-14 | — | — | CN | disclosed |
| CN-113402525-B | Compound containing cyano aromatic group, synthesis method thereof, organic material, functional layer and organic electroluminescent device | 吉林奥来德光电材料股份有限公司 | 2023-05-12 | — | — | CN | disclosed |
| CN-114956971-A | Method for preparing miticide intermediate 2-lauroyl-1-naphthol and analogue thereof | 浙江禾本科技股份有限公司 | 2022-08-30 | — | — | CN | disclosed |
| CN-112174890-B | Ketone-substituted heterocyclic compounds and their anesthetic action | 成都麻沸散医药科技有限公司 | 2022-05-27 | — | — | CN | disclosed |
| CN-113402525-A | Compound containing cyano aromatic group, synthetic method thereof, organic material, functional layer and organic electroluminescent device | 吉林奥来德光电材料股份有限公司 | 2021-09-17 | — | — | CN | disclosed |
| WO-2021068943-A1 | SUBSTITUTED NITROGEN HETEROCYCLIC COMPOUND AND ANESTHETIC EFFECT THEREOF | 成都麻沸散医药科技有限公司 | 2021-04-15 | — | — | WO | disclosed |
| CN-112174890-A | Ketone-substituted heterocyclic compounds and their anesthetic action | 成都麻沸散医药科技有限公司 | 2021-01-05 | — | — | CN | disclosed |
| CN-111574550-A | Double-bond-containing antibacterial silane coupling agent and preparation method thereof | 籍建亚 | 2020-08-25 | — | — | CN | disclosed |
| US-5059597-A | Animal growth regulators; enterobacter | BAYER AKTIENGESELLSCHAFT (DE) | 1991-10-22 | — | — | US | disclosed |
| US-5043344-A | Unsaturated N-benzopyranyllactams | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-08-27 | — | — | US | disclosed |
| EP-0245825-B1 | STYRYL PYRAZOLES, ISOXAZOLES AND ANALOGS THEREOF HAVING ACTIVITY AS 5-LIPOXY-GENASE INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | WARNER-LAMBERT COMPANY (US) | 1991-03-13 | — | — | EP | disclosed |
| US-4990517-A | 7-(1-pyrrolidinyl)-3-quinolone- and -naphthyridonecarboxylic acid derivatives as antibacterial agents and feed additives | BAYER AKTIENGESELLSCHAFT (DE) | 1991-02-05 | — | — | US | disclosed |
| US-4924002-A | REACTION WITH MOLYBDENUM CARBONYL AND HYDRAZINE | WARNER-LAMBERT COMPANY (US) | 1990-05-08 | — | — | US | disclosed |
| US-4877881-A | SUNSCREEN | WARNER-LAMBERT COMPANY (US) | 1989-10-31 | — | — | US | disclosed |
| US-4873019-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1989-10-10 | — | — | US | disclosed |
| US-4846998-A | LIQUID CRYSTALS, ESTERS, NITRILES; ETHERS, HYDROCARBONS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1989-07-11 | — | — | US | disclosed |
| US-4801730-A | Process for the preparation of fatty acid nitriles and glycerol from glycerides | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-01-31 | — | — | US | disclosed |
| EP-0245825-A1 | Styryl pyrazoles, isoxazoles and analogs thereof having activity as 5-lipoxy-genase inhibitors and pharmaceutical compositions containing them | WARNER-LAMBERT COMPANY (US) | 1987-11-19 | — | — | EP | disclosed |