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 | |
|---|---|---|---|---|
| ▸ | HDAC3 known ✓ | O15379 | 3/20 | 0.42 |
| ▸ | HDAC4 known ✓ | P56524 | 3/20 | 0.42 |
| ▸ | HDAC1 known ✓ | Q13547 | 3/20 | 0.42 |
| ▸ | HDAC2 known ✓ | Q92769 | 3/20 | 0.42 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 3/20 | 0.42 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 3/20 | 0.42 |
| ▸ | HDAC7 known ✓ | Q8WUI4 | 2/20 | 0.42 |
| ▸ | HDAC10 known ✓ | Q969S8 | 2/20 | 0.42 |
| ▸ | HDAC11 known ✓ | Q96DB2 | 2/20 | 0.42 |
| ▸ | HDAC9 known ✓ | Q9UKV0 | 2/20 | 0.42 |
| ▸ | HDAC5 known ✓ | Q9UQL6 | 2/20 | 0.42 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.39 |
| ▸ | MMP1 known ✓ | P03956 | 2/20 | 0.37 |
| ▸ | SLC5A2 known ✓ | P31639 | 1/20 | 0.37 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.37 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | PLIN1 | O60240 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9422101 | 0.98 | ALDH1A1 (0.44) | MAPTHDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL24093 | 0.98 | ALDH1A1 (0.44) | MAPTHDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL954016 | 0.98 | ALDH1A1 (0.44) | MAPTHDAC3HDAC4HDAC1HDAC2 | |
| Butadiene SCHEMBL9420166 | 0.96 | MAPT (0.42) | MAPTHDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL5337661 | 0.91 | ALDH1A1 (0.42) | MAPTHDAC3HDAC4HDAC1HDAC2 | |
| Maleic Acid SCHEMBL4613433 | 0.90 | HDAC3 (0.55) | MAPTHDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL29670874 | 0.84 | MAPT (0.56) | MAPTHDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL1019465 | 0.84 | MCL1 (0.32) | MAPTHDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL1245521 | 0.84 | ALDH1A1 (0.44) | MAPTHDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL26079487 | 0.84 | ALDH1A1 (0.44) | MAPTHDAC3HDAC4HDAC1HDAC2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2447459-B1 | Isolating bar | ENSINGER GMBH (DE) | 2013-07-17 | — | — | EP | claimed |
| EP-1055863-B1 | LIGHTING EQUIPMENT | NIPPON ZEON CO (JP) | 2013-09-11 | — | — | EP | disclosed |
| US-6883938-B1 | Lighting equipment | NIPPON ZEON CO., LTD. (JP) | 2005-04-26 | — | — | US | disclosed |
| US-6162865-A | High-frequency-weldable polymer mixture | BENECKE-KALIKO AG (DE) | 2000-12-19 | — | — | US | disclosed |
| EP-1055863-A1 | LIGHTING EQUIPMENT | NIPPON ZEON CO., LTD. (JP) | 2000-11-29 | — | — | EP | disclosed |
| US-5070147-A | REDUCED SHRINKAGE, SURFACE SMOOTHNESS, PAINTABILITY | TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) | 1991-12-03 | — | — | US | disclosed |
| EP-0360515-A2 | Graft copolymers effective as additives to unsaturated polyester resins | Takemoto Yushi Kabushiki Kaisha (JP) | 1990-03-28 | — | — | EP | disclosed |