Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. 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 | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.43 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.39 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.39 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.39 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.39 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.42 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 4/20 | 0.40 |
| ▸ | MAOB | P27338 | 4/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL6809935 | 0.98 | SMN1; SMN2 (0.44) | SMN1; SMN2TAAR1TDP1CYP2A6HTR2A | |
| SCHEMBL28681602 | 0.80 | SMN1; SMN2 (0.48) | SMN1; SMN2TAAR1TDP1CYP2A6HTR2A | |
| SCHEMBL5003745 | 0.80 | TAAR1 (0.48) | SMN1; SMN2TAAR1TDP1CYP2A6HTR2A | |
| Hydrochloric Acid SCHEMBL8670716 | 0.78 | MAOB (0.46) | SMN1; SMN2TAAR1TDP1CYP2A6HTR2A | |
| SCHEMBL3367528 | 0.77 | TAAR1 (0.50) | SMN1; SMN2TAAR1TDP1CYP2A6HTR2A | |
| SCHEMBL7776472 | 0.77 | SMN1; SMN2 (0.44) | SMN1; SMN2TAAR1TDP1CYP2A6HTR2A | |
| SCHEMBL27498335 | 0.76 | SMN1; SMN2 (0.42) | SMN1; SMN2TAAR1TDP1CYP2A6HTR2A | |
| SCHEMBL2778837 | 0.75 | SMN1; SMN2 (0.48) | SMN1; SMN2TAAR1TDP1CYP2A6HTR2A | |
| SCHEMBL8375787 | 0.75 | CYP1A2 (0.47) | SMN1; SMN2TAAR1TDP1CYP2A6HTR2A | |
| SCHEMBL7196259 | 0.75 | TDP1 (0.52) | SMN1; SMN2TAAR1TDP1CYP2A6HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2512516-B1 | INJECTABLE POLYMER COMPOSITION FOR USE AS A CELL DELIVERY VEHICLE | UNIV TORONTO (CA) | 2016-02-17 | — | — | EP | claimed |
| EP-2806034-B1 | Compounds and uses thereof to induce an immunogenic cancer cell death in a subject | ROUSSY INST GUSTAVE (FR) | 2017-06-28 | — | — | EP | disclosed |
| EP-2806034-A1 | Compounds and uses thereof to induce an immunogenic cancer cell death in a subject | Institut Gustave Roussy (FR) | 2014-11-26 | — | — | EP | disclosed |
| US-8865653-B2 | Method of treatment for immunogenic treatment resistant cancer | INSTITUT GUSTAVE ROUSSY (FR) | 2014-10-21 | — | — | US | disclosed |
| US-8828944-B2 | Compounds and uses thereof to induce an immunogenic cancer cell death in a subject | INSTITUT GUSTAVE ROUSSY (FR) | 2014-09-09 | — | — | US | disclosed |
| US-20130156790-A1 | COMPOUNDS AND USES THEREOF TO INDUCE AN IMMUNOGENIC CANCER CELL DEATH IN A SUBJECT | INSTITUT GUSTAVE ROUSSY (FR) | 2013-06-20 | — | — | US | disclosed |
| US-20130052160-A1 | COMPOUNDS AND USES THEREOF TO INDUCE AN IMMUNOGENIC CANCER CELL DEATH IN A SUBJECT | INSTITUT GUSTAVE ROUSSY (FR) | 2013-02-28 | — | — | US | disclosed |
| EP-2561088-A1 | COMPOUNDS AND USES THEREOF TO INDUCE AN IMMUNOGENIC CANCER CELL DEATH IN A SUBJECT | Institut Gustave Roussy (FR) | 2013-02-27 | — | — | EP | disclosed |
| WO-2012007783-A1 | KITS AND METHODS FOR DETECTING THE ABILITY TO INDUCE AN IMMUNOGENIC CANCER CELL DEATH IN A SUBJECT | INSTITUT GUSTAVE ROUSSY (FR) | 2012-01-19 | — | — | WO | disclosed |
| WO-2011131472-A1 | COMPOUNDS AND USES THEREOF TO INDUCE AN IMMUNOGENIC CANCER CELL DEATH IN A SUBJECT | INSTITUT GUSTAVE ROUSSY (FR) | 2011-10-27 | — | — | WO | disclosed |
| WO-2011131246-A1 | COMPOUNDS AND USES THEREOF TO INDUCE AN IMMUNOGENIC CANCER CELL DEATH IN A SUBJECT | INSTITUT GUSTAVE ROUSSY (FR) | 2011-10-27 | — | — | WO | disclosed |