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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 SCHEMBL28456192 | 1.00 | ALDH1A1 (0.38) | ALDH1A1LMNATSHR | |
| Isopropyl Alcohol SCHEMBL28507014 | 0.97 | ALDH1A1 (0.35) | ALDH1A1LMNATSHR | |
| Isopropyl Alcohol SCHEMBL29165312 | 0.97 | ALDH1A1 (0.35) | ALDH1A1LMNATSHR | |
| Isopropyl Alcohol SCHEMBL28882754 | 0.97 | ALDH1A1 (0.35) | ALDH1A1LMNATSHR | |
| Acetonitrile SCHEMBL9936942 | 0.87 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL522737 | 0.87 | — | — | |
| Acetonitrile SCHEMBL16267560 | 0.87 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL15092655 | 0.87 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL16267901 | 0.87 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL15092908 | 0.87 | APLNR (0.33) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11241432-B2 | Methods of treating depression using orexin-2 receptor antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2022-02-08 | — | — | US | disclosed |
| US-20210052588-A1 | Methods Of Treating Depression Using Orexin-2 Receptor Antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2021-02-25 | — | — | US | disclosed |
| US-10828302-B2 | Methods of treating depression using orexin-2 receptor antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2020-11-10 | — | — | US | disclosed |
| US-20170258790-A1 | Methods Of Treating Depression Using Orexin-2 Receptor Antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2017-09-14 | — | — | US | disclosed |
| US-9351492-B2 | Anti-biofilm compositions and methods for using | BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) | 2016-05-31 | — | — | US | disclosed |
| EP-2624702-B1 | ANTI-BIOFILM COMPOSITIONS AND METHODS FOR USING | UNIV ARKANSAS (US) | 2016-03-02 | — | — | EP | disclosed |
| US-20140271777-A1 | ANTI-BIOFILM COMPOSITIONS AND METHODS FOR USING | BOARD OF TRUSTEES UNIVERSITY OF ARKANSAS (US) | 2014-09-18 | — | — | US | disclosed |
| US-8741855-B2 | Anti-biofilm compositions and methods for using | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) | 2014-06-03 | — | — | US | disclosed |
| EP-2624702-A2 | ANTI-BIOFILM COMPOSITIONS AND METHODS FOR USING | The Board of Trustees of The University of Arkansas (US) | 2013-08-14 | — | — | EP | disclosed |
| WO-2012048119-A2 | ANTI-BIOFILM COMPOSITIONS AND METHODS FOR USING | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) | 2012-04-12 | — | — | WO | disclosed |
| US-20120088671-A1 | ANTI-BIOFILM COMPOSITIONS AND METHODS FOR USING | BOARD OF TRUSTEES UNIVERSITY OF ARKANSAS (US) | 2012-04-12 | — | — | 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 (6 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-11241432-B2 | Methods of treating depression using orexin-2 receptor antagonists | HCRTR2, HCRTR1, CRHR2 | ALDH1A1 1613/4885LMNA 3327/4885TSHR 105/4885 |
| US-20210052588-A1 | Methods Of Treating Depression Using Orexin-2 Receptor Antagonists | HCRTR2, HCRTR1, CRHR2 | ALDH1A1 1613/4885LMNA 3327/4885TSHR 105/4885 |
| US-10828302-B2 | Methods of treating depression using orexin-2 receptor antagonists | HCRTR2, HCRTR1, CRHR2 | ALDH1A1 1613/4885LMNA 3327/4885TSHR 105/4885 |
| US-20140271777-A1 | ANTI-BIOFILM COMPOSITIONS AND METHODS FOR USING | TIMP3, MMP13, MMP8 | ALDH1A1 2070/4885LMNA 4065/4885TSHR 4700/4885 |
| US-20170258790-A1 | Methods Of Treating Depression Using Orexin-2 Receptor Antagonists | HCRTR2, HCRTR1, CRHR2 | ALDH1A1 1613/4885LMNA 3327/4885TSHR 105/4885 |
| US-20120088671-A1 | ANTI-BIOFILM COMPOSITIONS AND METHODS FOR USING | TIMP3, MMP13, MMP8 | ALDH1A1 2070/4885LMNA 4065/4885TSHR 4700/4885 |
“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.