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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE known ✓ | P12821 | 3/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | FPR2 | P25090 | 1/20 | 0.53 |
| ▸ | ITGB2 | P05107 | 4/20 | 0.53 |
| ▸ | ICAM1 | P05362 | 4/20 | 0.53 |
| ▸ | ITGAL | P20701 | 4/20 | 0.53 |
| ▸ | NMBR | P28336 | 2/20 | 0.52 |
| ▸ | MDM4 | O15151 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ECE1 | P42892 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL119372 | 0.99 | ALOX15 (0.56) | ALOX15ACEFPR2ITGB2ICAM1 | |
| SCHEMBL29417397 | 0.99 | ALOX15 (0.56) | ALOX15ACEFPR2ITGB2ICAM1 | |
| SCHEMBL29350138 | 0.99 | ALOX15 (0.56) | ALOX15ACEFPR2ITGB2ICAM1 | |
| SCHEMBL119594 | 0.99 | ALOX15 (0.56) | ALOX15ACEFPR2ITGB2ICAM1 | |
| SCHEMBL850319 | 0.99 | ALOX15 (0.56) | ALOX15ACEFPR2ITGB2ICAM1 | |
| SCHEMBL29350130 | 0.99 | ALOX15 (0.56) | ALOX15ACEFPR2ITGB2ICAM1 | |
| Fluoride SCHEMBL7154596 | 0.98 | ALOX15 (0.55) | ALOX15ACEFPR2ITGB2ICAM1 | |
| SCHEMBL29903302 | 0.92 | NMBR (0.55) | ACENMBRECE1 | |
| SCHEMBL30310986 | 0.92 | ACE (0.53) | ACEECE1 | |
| SCHEMBL29903356 | 0.92 | NMBR (0.55) | ACENMBRECE1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0759786-B1 | SOMATOSTATIN BINDING PEPTIDE-METAL CHELATE CONJUGATES | DIATIDE INC (US) | 2006-09-27 | — | — | EP | disclosed |
| US-5985241-A | DIAGNOSTIC AND RADIODIAGNOSTIC AGENTS, FORMED BY REACTING TECHNETIUM-99M WITH A SOMATOSTATIN RECEPTOR-BINDING PEPTIDE | DIATIDE, INC. (US) | 1999-11-16 | — | — | US | disclosed |
| US-5981477-A | ADMINISTERING TO THE MAMMAL BEARING SOMATOSTATIN RECEPTOR EXPRESSING TUMOR, A METAL ION COMPLEXED SOMATOSTATIN RECEPTOR BINDING CYCLIC PEPTIDE | DIATIDE, INC. (US) | 1999-11-09 | — | — | US | disclosed |
| US-5972308-A | REACTING TECHNETIUM-99 WITH A CYCLIC OLIGOPEPTIDE HAVING AMINO ACID UNITS CONTAINING A MERCAPTAN GROUP ATTACHED TO THE RING THROUGH A HOMOCYSTEINE UNIT. | DIATIDE, INC. (US) | 1999-10-26 | — | — | US | disclosed |
| US-5965108-A | CYCLIC PEPTIDE-METAL COMPLEX SPECIFICALLY BINDS TO SURFACE SOMATOSTATIN RECEPTOR-EXPRESSING CELLS; RADIOLOGY; SCINTIGRAPHY; ANTITUMOR,-CARCINOGENIC AND METASTATIC AGENTS; STABILITY | DIATIDE, INC. (US) | 1999-10-12 | — | — | US | disclosed |
| US-5783170-A | Peptide-metal chelate conjugates | DIATIDE, INC. (US) | 1998-07-21 | — | — | US | disclosed |