Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRB1ADRB2ADRB3CYP11B1DPP4FGFR1FGFR2FGFR3FGFR4HRH1JAK1JAK2JAK3KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITNAOPRD1OPRK1OPRM1PPDGFRBPIK3CDSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASMOTYK2polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | 0.65 |
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.65 |
| ▸ | ACHE | P22303 | 1/20 | 0.65 |
| ▸ | ACP3 | P15309 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | SRC | P12931 | 2/20 | 0.44 |
| ▸ | CFTR | P13569 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
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 SCHEMBL437383 | 1.00 | LMNA (0.65) | LMNATSHRALOX12ACHEACP3 | |
| Toluene SCHEMBL5806354 | 1.00 | LMNA (0.65) | LMNATSHRALOX12ACHEACP3 | |
| Toluene SCHEMBL10856877 | 1.00 | LMNA (0.65) | LMNATSHRALOX12ACHEACP3 | |
| Toluene SCHEMBL28555681 | 1.00 | LMNA (0.65) | LMNATSHRALOX12ACHEACP3 | |
| Toluene SCHEMBL695755 | 1.00 | LMNA (0.65) | LMNATSHRALOX12ACHEACP3 | |
| Toluene SCHEMBL27269290 | 1.00 | LMNA (0.65) | LMNATSHRALOX12ACHEACP3 | |
| Toluene SCHEMBL1931900 | 0.97 | LMNA (0.61) | LMNATSHRALOX12ACHEACP3 | |
| Toluene SCHEMBL3630619 | 0.97 | LMNA (0.61) | LMNATSHRALOX12ACHEACP3 | |
| Toluene SCHEMBL27955550 | 0.97 | LMNA (0.61) | LMNATSHRALOX12ACHEACP3 | |
| Toluene SCHEMBL29009365 | 0.97 | LMNA (0.61) | LMNATSHRALOX12ACHEACP3 |
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 176 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116323752-A | Catalyst particle for polyester production and method for producing polyester using same | 帝人株式会社 | 2023-06-23 | — | — | CN | claimed |
| CN-115403577-A | Synthesis method of carboxyl azaindole | 凤翔万生源医药科技有限公司 | 2022-11-29 | — | — | CN | claimed |
| US-20220298408-A1 | COMPOSITIONS FOR ENHANCED OIL RECOVERY | CHAMPIONX LLC | 2022-09-22 | — | — | US | claimed |
| CN-114702889-A | Waterborne polyurethane coating | 广东家实多集团有限公司 | 2022-07-05 | — | — | CN | claimed |
| CN-113583737-B | By using nano SiO2Preparation method of modified palm insulating oil | 广西大学 | 2022-05-20 | — | — | CN | claimed |
| CN-113980380-A | High and low temperature resistant plastic bottle cap and manufacturing process thereof | 连云港市鼎尚包装有限公司 | 2022-01-28 | — | — | CN | claimed |
| CN-111363203-B | Functional color change auxiliary agent composition and preparation method thereof | 四川大学 | 2021-09-17 | — | — | CN | claimed |
| CN-111320799-B | Auxiliary agent composition for color change in light-colored base polymer and preparation method thereof | 四川大学 | 2021-09-10 | — | — | CN | claimed |
| CN-112591806-A | Method for recovering and regenerating anode active material of waste lithium ion battery | 中南大学 | 2021-04-02 | — | — | CN | claimed |
| CN-111363203-A | Functional color change auxiliary agent composition and preparation method thereof | 四川大学 | 2020-07-03 | — | — | CN | claimed |
| CN-111040323-A | A-2-grade fireproof TPS (thermoplastic polystyrene) heat-insulation board and preparation method thereof | 天津科技大学 | 2020-04-21 | — | — | CN | claimed |
| CN-109501318-A | A kind of profile shapes tension and compression technique using PMI foam core | 浙江中科恒泰新材料科技有限公司 | 2019-03-22 | — | — | CN | claimed |
| CN-108300250-A | A kind of formula of polyurethane foam coating | 王玉楼 | 2018-07-20 | — | — | CN | claimed |
| CN-108300186-A | A kind of formula of polyurethane coating | 王玉楼 | 2018-07-20 | — | — | CN | claimed |
| CN-105199318-B | A kind of preparation method of resin base heat-conductive copper-clad plate | 苏州宽温电子科技有限公司 | 2017-12-26 | — | — | CN | claimed |
| CN-105080422-A | Method for preparing fluorine-containing phosphate ester surfactant | JIAOZUO CHAODA ENVIRONMENTAL PROT SCIENCE &TECHNOLOGY CO LTD | 2015-11-25 | — | — | CN | claimed |
| CN-101921468-B | Polylactic acid composition containing sulfoacid compound and phosphorus-containing organic compound and preparation method thereof | TORAY FIBER RES INST CN CO LTD | 2013-04-24 | — | — | CN | claimed |
| CN-101921468-A | Polylactic acid composition containing sulfoacid compound and phosphorus-containing organic compound and preparation method thereof | TORAY FIBER RES INST CN CO LTD | 2010-12-22 | — | — | CN | claimed |
| CN-1046218-C | Process for the carbonylation of acetylenically unsaturated compounds | SHELL INT RESEARCH (NL) | 1999-11-10 | — | — | CN | claimed |
| CN-1147978-A | Foaming material made of plant | JI BUHUA (CN) | 1997-04-23 | — | — | CN | claimed |