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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 known ✓ | P25103 | 1/20 | 0.50 |
| ▸ | CTSK | P43235 | 12/20 | 0.56 |
| ▸ | CTSS | P25774 | 6/20 | 0.56 |
| ▸ | CTSL | P07711 | 6/20 | 0.56 |
| ▸ | CTSB | P07858 | 4/20 | 0.56 |
| ▸ | CASP1 | P29466 | 2/20 | 0.52 |
| ▸ | CAPN1 | P07384 | 2/20 | 0.49 |
| ▸ | CAPN2 | P17655 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL20827012 | 0.99 | CTSK (0.57) | CTSKCTSSCTSLCTSBCASP1 | |
| SCHEMBL6675104 | 0.94 | CTSK (0.54) | CTSKCTSSCTSLCTSBCASP1 | |
| SCHEMBL27919626 | 0.91 | CTSK (0.57) | CTSKCTSSCTSLCTSBCASP1 | |
| SCHEMBL2912586 | 0.88 | CASP1 (0.60) | CTSKCTSSCTSLCTSBCASP1 | |
| SCHEMBL7583002 | 0.88 | CASP1 (0.60) | CTSKCTSSCTSLCTSBCASP1 | |
| SCHEMBL2912589 | 0.88 | CASP1 (0.60) | CTSKCTSSCTSLCTSBCASP1 | |
| SCHEMBL20827013 | 0.87 | CASP1 (0.55) | CTSKCTSSCTSLCTSBCASP1 | |
| SCHEMBL7975561 | 0.86 | CASP1 (0.55) | CTSKCTSSCTSLCTSBCASP1 | |
| SCHEMBL3012475 | 0.85 | CASP1 (0.56) | CTSKCTSSCTSLCTSBCASP1 | |
| SCHEMBL8116799 | 0.85 | CASP1 (0.56) | CTSKCTSSCTSLCTSBCASP1 |
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-3681871-A1 | COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY | Azevan Pharmaceuticals, Inc. (US) | 2020-07-22 | — | — | EP | disclosed |
| WO-2019055913-A1 | COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY | AZEVAN PHARMACEUTICALS, INC. (US) | 2019-03-21 | — | — | WO | disclosed |
| EP-3122743-A1 | COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES | Azevan Pharmaceuticals, Inc. (US) | 2017-02-01 | — | — | EP | disclosed |
| WO-2015148962-A1 | COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES | AZEVAN PHARMACEUTICALS, INC. (US) | 2015-10-01 | — | — | WO | disclosed |
| EP-2587919-A1 | METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER | Azevan Pharmaceuticals, Inc. (US) | 2013-05-08 | — | — | EP | disclosed |
| WO-2012003436-A1 | METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER | AZEVAN PHARMACEUTICALS, INC. (US) | 2012-01-05 | — | — | WO | disclosed |
| WO-2008034032-A2 | BETA-LACTAM CANNABINOID RECEPTOR MODULATORS | AZEVAN PHARMACEUTICALS, INC. (US) | 2008-03-20 | — | — | WO | disclosed |
| EP-1868434-A2 | BETA-LACTAMYLALKANOIC ACIDS FOR TREATING PREMENSTRUAL DISORDERS | Azevan Pharmaceuticals, Inc. (US) | 2007-12-26 | — | — | EP | disclosed |
| WO-2007109615-A2 | β -LACTAMYL VASOPRESSIN V2 ANTAGONISTS | AZEVAN PHARMACEUTICALS, INC. (US) | 2007-09-27 | — | — | WO | disclosed |
| WO-2006102308-A2 | BETA-LACTAMYL VASOPRESSIN V1B ANTAGONISTS | AZEVAN PHARMACEUTICALS, INC. (US) | 2006-09-28 | — | — | WO | disclosed |
| WO-2006102283-A2 | BETA-LACTAMYLALKANOIC ACIDS FOR TREATING PREMENSTRUAL DISORDERS | AZEVAN PHARMACEUTICALS, INC. (US) | 2006-09-28 | — | — | WO | disclosed |