Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Isopropyl Alcohol. 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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.41 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.82 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | GALR3 | O60755 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 4/20 | 0.33 |
| ▸ | CA1 | P00915 | 4/20 | 0.33 |
| ▸ | CA2 | P00918 | 4/20 | 0.33 |
| ▸ | CA9 | Q16790 | 4/20 | 0.33 |
| ▸ | CA7 | P43166 | 3/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL63840 | 0.97 | TSHR (0.88) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| Water SCHEMBL1289230 | 0.94 | — | — | |
| Acetic Acid SCHEMBL28160735 | 0.92 | TSHR (0.78) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| Methyl Alcohol SCHEMBL2927781 | 0.91 | TSHR (0.88) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL21064874 | 0.91 | TSHR (1.00) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL19193 | 0.91 | — | — | |
| SCHEMBL3495565 | 0.88 | — | — | |
| Ammonia Solution, Strong SCHEMBL5086843 | 0.88 | — | — | |
| Methyl Alcohol SCHEMBL584909 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL2107550 | 0.88 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107501042-B | Method for preparing isopropanol by hydrolyzing isopropyl acetate | 惠州宇新化工有限责任公司 | 2020-08-11 | — | — | CN | claimed |
| CN-107954866-A | The method and its device of differential pressure heat coupled reaction rectifying synthesis of acetic acid isopropyl ester | 中国石油大学(华东) | 2018-04-24 | — | — | CN | claimed |
| US-4718989-A | PHTHALATE | BERG LLOYD (US) | 1988-01-12 | — | — | US | claimed |
| US-4693789-A | IN RECTIFICATION COLUMN USING AN HYDROXYAMINE | BERG LLOYD | 1987-09-15 | — | — | US | claimed |
| US-4666560-A | BENZOATE OR NITRO PARAFFIN AS EXTRACTIVE AGENT | BERG LLOYD | 1987-05-19 | — | — | US | claimed |
| CN-115253337-A | Method and device for preparing isopropanol through two-tower thermal coupling reaction-variable pressure mixed rectification and application | 天津大学 | 2022-11-01 | — | — | CN | disclosed |
| CN-115232006-A | Method and device for producing isopropanol and co-producing methyl acetate by two-tower reaction-variable pressure mixed rectification and application | 天津大学 | 2022-10-25 | — | — | CN | disclosed |
| CN-107501042-B | Method for preparing isopropanol by hydrolyzing isopropyl acetate | 惠州宇新化工有限责任公司 | 2020-08-11 | — | — | CN | disclosed |
| CN-109293592-A | A method of preparing Gadobutrol | 天津科伦药物研究有限公司 | 2019-02-01 | — | — | CN | disclosed |
| CN-107954866-A | The method and its device of differential pressure heat coupled reaction rectifying synthesis of acetic acid isopropyl ester | 中国石油大学(华东) | 2018-04-24 | — | — | CN | disclosed |
| CN-107501042-A | A kind of method that isopropanol is prepared by isopropyl acetate ester hydrolysis | 惠州宇新化工有限责任公司 | 2017-12-22 | — | — | CN | disclosed |
| US-7531651-B2 | Benzenesulphonate salt of a morpholine urea derivative for use as a CCR-3 antagonist in the treatment of inflammatory conditions | GLAXO GROUP LIMITED (GB) | 2009-05-12 | — | — | US | disclosed |
| US-20060089497-A1 | Benzenesulphonate salt of a morpholine urea derivative for use as a ccr-3 antagonist in the treatment of inflammatory conditions | GLAXO GROUP LIMITED (GB) | 2006-04-27 | — | — | US | disclosed |
| EP-1487456-B1 | BENZENESULPHONATE SALT OF A MORPHOLINE UREA DERIVATIVE FOR USE AS A CCR-3 ANTAGONIST IN THE TREATMENT OF INFLAMMATORY CONDITIONS | GLAXO GROUP LTD (GB) | 2006-02-15 | — | — | EP | disclosed |
| EP-1487456-A1 | BENZENESULPHONATE SALT OF A MORPHOLINE UREA DERIVATIVE FOR USE AS A CCR-3 ANTAGONIST IN THE TREATMENT OF INFLAMMATORY CONDITIONS | GLAXO GROUP LIMITED (GB) | 2004-12-22 | — | — | EP | disclosed |
| WO-2003082293-A1 | BENZENESULPHONATE SALT OF A MORPHOLINE UREA DERIVATIVE FOR USE AS A CCR-3 ANTAGONIST IN THE TREATMENT OF INFLAMMATORY CONDITIONS | GLAXO GROUP LIMITED (GB) | 2003-10-09 | — | — | WO | disclosed |
| US-4718989-A | PHTHALATE | BERG LLOYD (US) | 1988-01-12 | — | — | US | disclosed |
| US-4693789-A | IN RECTIFICATION COLUMN USING AN HYDROXYAMINE | BERG LLOYD | 1987-09-15 | — | — | US | disclosed |
| US-4666560-A | BENZOATE OR NITRO PARAFFIN AS EXTRACTIVE AGENT | BERG LLOYD | 1987-05-19 | — | — | 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 (1 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-20060089497-A1 | Benzenesulphonate salt of a morpholine urea derivative for use as a ccr-3 antagonist in the treatment of inflammatory conditions | CCR3, CCR1, CCR6 | CHRM2 459/4885CHRM4 711/4885CHRM1 640/4885 |
“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.