Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 3/20 | 0.65 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.42 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.42 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.39 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.39 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.39 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.65 |
| ▸ | TSHR | P16473 | 3/20 | 0.65 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RGS12 | O14924 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
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 SCHEMBL50431 | 0.97 | LMNA (0.69) | LMNATSHRACHEALOX12ADRA2C | |
| Toluene SCHEMBL28086966 | 0.97 | LMNA (0.69) | LMNATSHRACHEALOX12ADRA2C | |
| Toluene SCHEMBL27917897 | 0.97 | LMNA (0.69) | LMNATSHRACHEALOX12ADRA2C | |
| Toluene SCHEMBL6795640 | 0.94 | LMNA (0.65) | LMNATSHRACHEALOX12ADRA2C | |
| Toluene SCHEMBL11305018 | 0.94 | LMNA (0.65) | LMNATSHRACHEALOX12ADRA2C | |
| Toluene SCHEMBL11298633 | 0.94 | LMNA (0.65) | LMNATSHRACHEALOX12ADRA2C | |
| Toluene SCHEMBL11305945 | 0.92 | LMNA (0.61) | LMNATSHRACHEALOX12ADRA2C | |
| Toluene SCHEMBL2780000 | 0.90 | TSHR (0.52) | LMNATSHRACHEALOX12ADRA2C | |
| Toluene SCHEMBL8572276 | 0.89 | LMNA (0.58) | LMNATSHRACHEALOX12ADRA2C | |
| O-Xylene SCHEMBL29187586 | 0.89 | LMNA (0.58) | LMNATSHRACHEALOX12ADRA2C |
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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107129540-B | The Green production method of hydroxypropyl methylcellulose | Zhejiang Joinway pharmaceutical Limited by Share Ltd (CN) | 2019-11-01 | — | — | CN | claimed |
| CN-107098982-B | The production method of hydroxypropyl methylcellulose | 浙江中维药业股份有限公司 | 2019-10-11 | — | — | CN | claimed |
| CN-107129540-A | The Green production method of hydroxypropyl methylcellulose | 浙江中维药业股份有限公司 | 2017-09-05 | — | — | CN | claimed |
| CN-107098982-A | The production method of hydroxypropyl methylcellulose | 浙江中维药业股份有限公司 | 2017-08-29 | — | — | CN | claimed |
| US-9499475-B2 | Process for the preparation of arformoterol or salt thereof | GLENMARK PHARMACEUTICALS LIMITED (IN) | 2016-11-22 | — | — | US | claimed |
| US-20160083334-A1 | PROCESS FOR THE PREPARATION OF ARFORMOTEROL OR SALT THEREOF | GLENMARK LIFE SCIENCES LIMITED (IN) | 2016-03-24 | — | — | US | claimed |
| WO-2008080106-A1 | NON-CONTACT THERMAL CONTROL OF SMALL VOLUME AND RELATED APPARATUS THEREOF | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2008-07-03 | — | — | WO | claimed |
| CN-1970555-A | Process for the preparation of angiotensin ii antagonistic compounds | DIPHARMA SPA (IT) | 2007-05-30 | — | — | CN | claimed |
| US-20070093540-A1 | PROCESS FOR THE PREPARATION OF ANGIOTENSIN II ANTAGONISTIC COMPOUNDS | DIPHARMA S.P.A. (IT) | 2007-04-26 | — | — | US | claimed |
| EP-1777224-A2 | A process for the preparation of angiotensin II antagonistic compounds | Dipharma S.p.A. (IT) | 2007-04-25 | — | — | EP | claimed |
| CN-118027220-A | Hydroxypropyl methyl cellulose for improving cracking resistance of mortar, and preparation method and application thereof | 北方天普纤维素有限公司 | 2024-05-14 | — | — | CN | disclosed |
| CN-109942433-B | Chemical synthesis method of 3',4',5' -trifluoro-2-aminobiphenyl | 浙江工业大学 | 2022-03-25 | — | — | CN | disclosed |
| CN-113984757-A | Method for measuring total acid value of jet fuel | 中国人民解放军空军勤务学院 | 2022-01-28 | — | — | CN | disclosed |
| EP-3275870-B1 | FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS | GILEAD SCIENCES INC (US) | 2020-02-05 | — | — | EP | disclosed |
| CN-107129540-B | The Green production method of hydroxypropyl methylcellulose | Zhejiang Joinway pharmaceutical Limited by Share Ltd (CN) | 2019-11-01 | — | — | CN | disclosed |
| CN-1970555-A | Process for the preparation of angiotensin ii antagonistic compounds | DIPHARMA SPA (IT) | 2007-05-30 | — | — | CN | disclosed |
| US-20070093540-A1 | PROCESS FOR THE PREPARATION OF ANGIOTENSIN II ANTAGONISTIC COMPOUNDS | DIPHARMA S.P.A. (IT) | 2007-04-26 | — | — | US | disclosed |
| EP-1777224-A2 | A process for the preparation of angiotensin II antagonistic compounds | Dipharma S.p.A. (IT) | 2007-04-25 | — | — | EP | disclosed |
| US-20030040442-A1 | Adjust pH of sealing grease; high speed rotation, vibration; mixture of oil, pH adjustor and thickeners | NSK LTD. | 2003-02-27 | — | — | US | disclosed |
| US-4753959-A | HERPES VIRUS | SANDOZ LTD. (CH) | 1988-06-28 | — | — | US | 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-20070093540-A1 | PROCESS FOR THE PREPARATION OF ANGIOTENSIN II ANTAGONISTIC COMPOUNDS | AGTR2, AGTR1, ACE2 | ACHE 1417/4885ADRA2C 40/4885ADRA2A 21/4885 |
| US-20160083334-A1 | PROCESS FOR THE PREPARATION OF ARFORMOTEROL OR SALT THEREOF | AGT, AGTR1, REN | ACHE 3049/4885ADRA2C 16/4885ADRA2A 17/4885 |
“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.