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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS known ✓ | P14324 | 1/20 | 0.37 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.30 |
| ▸ | PEPD | P12955 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | PGK1 | P00558 | 1/20 | 0.32 |
| ▸ | PGK2 | P07205 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | PGD | P52209 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL27495717 | 1.00 | PEPD (0.48) | PEPDCA4BLMTDP1FDPS | |
| Water SCHEMBL28561661 | 1.00 | PEPD (0.48) | PEPDCA4BLMTDP1FDPS | |
| SCHEMBL345050 | 0.97 | — | — | |
| SCHEMBL7016920 | 0.97 | CA4 (0.50) | PEPDCA4BLMTDP1FDPS | |
| SCHEMBL285676 | 0.97 | CA4 (0.50) | PEPDCA4BLMTDP1FDPS | |
| SCHEMBL9449862 | 0.97 | CA4 (0.50) | PEPDCA4BLMTDP1FDPS | |
| Water SCHEMBL27553999 | 0.97 | — | — | |
| Water SCHEMBL29215419 | 0.94 | PEPD (0.48) | PEPDCA4BLMTDP1FDPS | |
| SCHEMBL7775153 | 0.94 | CA4 (0.55) | PEPDCA4BLMTDP1FDPS | |
| SCHEMBL28640302 | 0.94 | PEPD (0.48) | PEPDCA4BLMTDP1FDPS |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9668844-B2 | Device for fixation at a dental site | COLLDENT Y.A LTD (IL) | 2017-06-06 | — | — | US | disclosed |
| US-20150125810-A1 | DEVICE FOR FIXATION AT A DENTAL SITE | COLLDENT Y.A. LTD. (IL) | 2015-05-07 | — | — | US | disclosed |
| US-20130108982-A1 | Reshapable Device for Fixation at a Dental Site | COLLDENT Y.A. LTD. (IL) | 2013-05-02 | — | — | US | disclosed |
| US-8287277-B2 | Reshapable device for fixation at a dental site | Colldent V.A. Ltd. (IL) | 2012-10-16 | — | — | US | disclosed |
| US-20110104635-A1 | RESHAPABLE DEVICE FOR FIXATION AT A DENTAL SITE | COLL PARTNERS LTD. (VG) | 2011-05-05 | — | — | US | disclosed |
| US-7850453-B2 | Reshapable device for fixation at a dental site | COLL PARTNERS LTD. (VG) | 2010-12-14 | — | — | US | disclosed |
| EP-2185099-A1 | RESHAPABLE DEVICE FOR FIXATION AT A DENTAL SITE | Coll Partners Ltd. (VG) | 2010-05-19 | — | — | EP | disclosed |
| US-20090042161-A1 | Reshapable device for fixation at a dental site | COLLDENT Y.A. LTD. (IL) | 2009-02-12 | — | — | US | disclosed |
| WO-2009019697-A1 | RESHAPABLE DEVICE FOR FIXATION AT A DENTAL SITE | COLL PARTNERS LTD. (VG) | 2009-02-12 | — | — | WO | disclosed |
| US-20050175959-A1 | System for the controlled delivery of an active material to a dental site | COLL PARTNERS LTD. (VG) | 2005-08-11 | — | — | US | disclosed |