Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Butyl Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 2/20 | 0.39 |
| ▸ | RORA | P35398 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | RORB | Q92753 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Propanol SCHEMBL27491834 | 0.90 | ALDH1A1 (0.41) | ALDH1A1TDP1L3MBTL1GABRA1GABRB2 | |
| Alcohol SCHEMBL27338258 | 0.85 | ALDH1A1 (0.43) | ALDH1A1TDP1L3MBTL1KDM4EHPGD | |
| Alcohol SCHEMBL6796022 | 0.83 | ALDH1A1 (0.45) | ALDH1A1TDP1L3MBTL1KDM4EHPGD | |
| Ethylene Glycol SCHEMBL27788966 | 0.83 | MAOB (0.41) | ALDH1A1TDP1L3MBTL1KDM4EHPGD | |
| Methyl Alcohol SCHEMBL28064720 | 0.78 | ALDH1A1 (0.40) | ALDH1A1KDM4EHPGDHSD17B10GAA | |
| Tetradecane SCHEMBL8975037 | 0.76 | TDP1 (0.50) | ALDH1A1TDP1L3MBTL1PGRRORA | |
| Methyl Alcohol SCHEMBL3930228 | 0.75 | ALDH1A1 (0.42) | ALDH1A1KDM4EHPGDHSD17B10GAA | |
| Water SCHEMBL1512563 | 0.75 | ALDH1A1 (0.46) | ALDH1A1TDP1KDM4EHPGDHSD17B10 | |
| Water SCHEMBL592692 | 0.75 | ALDH1A1 (0.46) | ALDH1A1TDP1KDM4EHPGDHSD17B10 | |
| Water SCHEMBL29662270 | 0.75 | ALDH1A1 (0.46) | ALDH1A1TDP1KDM4EHPGDHSD17B10 |
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-101642579-B | Chitosan modified paramagnetic metal ion magnetic resonance imaging contrast agent preparation method | UNIV JIANGSU | 2013-10-23 | — | — | CN | claimed |
| CN-101890095-A | Quality control method of Keke tablets | ZHONGSHAN HENGSHENG PHARMACEUTICAL CO LTD | 2010-11-24 | — | — | CN | claimed |
| CN-101642579-A | Chitosan modified paramagnetic metal ion magnetic resonance imaging contrast agent preparation method | UNIV JIANGSU | 2010-02-10 | — | — | CN | claimed |
| CN-100569251-C | The method of quality control of KEKE JIAONANG | GUIZHOU YIBAI PHARMACEUTICAL (CN) | 2009-12-16 | — | — | CN | claimed |
| CN-101181388-A | Mass control method of keke oral preparation | GUIZHOU YIBAI PHARMACEUTICAL (CN) | 2008-05-21 | — | — | CN | claimed |
| CN-1969983-A | Quality control method of cough-stopping (Ke Ke) capsule | GUIZHOU YIBAI PHARMACEUTICAL (CN) | 2007-05-30 | — | — | CN | claimed |
| CN-1813972-A | Method for controlling quality of keke oral solid preparation for treating cough | GUIZHOU YIBAI PHARMACEUTICAL (CN) | 2006-08-09 | — | — | CN | claimed |
| CN-103432148-B | A kind of preparation method of Compound Ketoconazole Cream | SUICHENG PHARMACEUTICAL CO., LTD. (CN) | 2016-03-02 | — | — | CN | disclosed |
| CN-103432148-A | Method for preparing compound ketoconazole cream | TIANJIN PHARMACEUTICAL GROUP XINZHENG CO LTD | 2013-12-11 | — | — | CN | disclosed |
| CN-103417557-A | Compound ketoconazole cream | TIANJIN PHARMACEUTICAL GROUP XINZHENG CO LTD | 2013-12-04 | — | — | CN | disclosed |
| CN-101642579-B | Chitosan modified paramagnetic metal ion magnetic resonance imaging contrast agent preparation method | UNIV JIANGSU | 2013-10-23 | — | — | CN | disclosed |
| CN-1838954-B | Glycogen synthase kinase-3 inhibitors | UNIV TEL AVIV FUTURE TECH DEV | 2013-01-16 | — | — | CN | disclosed |
| CN-101890095-A | Quality control method of Keke tablets | ZHONGSHAN HENGSHENG PHARMACEUTICAL CO LTD | 2010-11-24 | — | — | CN | disclosed |
| CN-101642579-A | Chitosan modified paramagnetic metal ion magnetic resonance imaging contrast agent preparation method | UNIV JIANGSU | 2010-02-10 | — | — | CN | disclosed |
| CN-100569251-C | The method of quality control of KEKE JIAONANG | GUIZHOU YIBAI PHARMACEUTICAL (CN) | 2009-12-16 | — | — | CN | disclosed |
| CN-101181388-A | Mass control method of keke oral preparation | GUIZHOU YIBAI PHARMACEUTICAL (CN) | 2008-05-21 | — | — | CN | disclosed |
| CN-1969983-A | Quality control method of cough-stopping (Ke Ke) capsule | GUIZHOU YIBAI PHARMACEUTICAL (CN) | 2007-05-30 | — | — | CN | disclosed |
| CN-1838954-A | Glycogen synthase kinase-3 inhibitors | UNIV TEL AVIV FUTURE TECH DEV (IL) | 2006-09-27 | — | — | CN | disclosed |
| CN-1813972-A | Method for controlling quality of keke oral solid preparation for treating cough | GUIZHOU YIBAI PHARMACEUTICAL (CN) | 2006-08-09 | — | — | CN | disclosed |