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 | |
|---|---|---|---|---|
| ▸ | JAK2 known ✓ | O60674 | 2/20 | 0.38 |
| ▸ | JAK1 known ✓ | P23458 | 2/20 | 0.38 |
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.35 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.35 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | FABP4 | P15090 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | CLCN2 | P51788 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
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 SCHEMBL8638678 | 1.00 | IDO1 (0.42) | IDO1FABP4JAK2JAK1KDM4E | |
| SCHEMBL2557198 | 0.98 | IDO1 (0.43) | IDO1FABP4JAK2JAK1KDM4E | |
| SCHEMBL24049853 | 0.81 | KDM4E (0.38) | KDM4EGLACLCN2KMT2AALDH1A1 | |
| SCHEMBL2274708 | 0.81 | IDO1 (0.42) | IDO1FABP4JAK2JAK1KDM4E | |
| SCHEMBL2492869 | 0.79 | IDO1 (0.47) | IDO1FABP4JAK2JAK1KDM4E | |
| SCHEMBL6088062 | 0.78 | JAK2 (0.48) | IDO1FABP4JAK2JAK1KDM4E | |
| SCHEMBL18967133 | 0.78 | IDO1 (0.43) | IDO1FABP4JAK2JAK1KDM4E | |
| SCHEMBL21337799 | 0.78 | IDO1 (0.40) | IDO1FABP4JAK2JAK1KDM4E | |
| SCHEMBL24050221 | 0.78 | ALDH1A1 (0.42) | KDM4EGLACLCN2KMT2AALDH1A1 | |
| SCHEMBL23864686 | 0.77 | CLCN2 (0.49) | FABP4KDM4ECLCN2KMT2AALDH1A1 |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114616365-A | Polymer-filled polyolefin fibers | 帝斯曼知识产权资产管理有限公司 | 2022-06-10 | — | — | CN | disclosed |
| EP-2908937-B1 | MICROSPHERES | MERCK PATENT GMBH (DE) | 2018-08-08 | — | — | EP | disclosed |
| US-9944778-B2 | Microspheres | MERCK PATENT GMBH (DE) | 2018-04-17 | — | — | US | disclosed |
| US-9150702-B2 | Laser-marking additive | DSM IP ASSETS B.V. (NL) | 2015-10-06 | — | — | US | disclosed |
| US-20150259518-A1 | MICROSPHERES | MERCK PATENT GMBH (DE) | 2015-09-17 | — | — | US | disclosed |
| EP-2908937-A2 | MICROSPHERES | Merck Patent GmbH (DE) | 2015-08-26 | — | — | EP | disclosed |
| US-9050843-B2 | Microsphere comprising a polymer core, a shell and an absorber | MERCK PATENT GMBH (DE) | 2015-06-09 | — | — | US | disclosed |
| WO-2014060099-A2 | MICROSPHERES | MERCK PATENT GMBH (DE) | 2014-04-24 | — | — | WO | disclosed |
| US-20120298933-A1 | LASER-MARKING ADDITIVE | DSM IP ASSETS B.V. (NL) | 2012-11-29 | — | — | US | disclosed |
| EP-2493971-A2 | Laser-marking additive | DSM IP Assets B.V. (NL) | 2012-09-05 | — | — | EP | disclosed |
| EP-1567595-B1 | LASER WRITABLE COMPOSITION | DSM IP ASSETS BV (NL) | 2006-04-26 | — | — | EP | disclosed |
| US-20060074165-A1 | Laser light absorbing additive | MERCK PATENT GMBH (DE) | 2006-04-06 | — | — | US | disclosed |
| US-20050222328-A1 | Polymer composition with improved temperature resistance | DSM IP ASSETS B.V. (NL) | 2005-10-06 | — | — | US | disclosed |
| EP-1567594-A1 | LASER LIGHT ABSORBING ADDITIVE | DSM IP Assets B.V. (NL) | 2005-08-31 | — | — | EP | disclosed |
| EP-1567595-A1 | LASER WRITABLE COMPOSITION | DSM IP Assets B.V. (NL) | 2005-08-31 | — | — | EP | disclosed |
| EP-1492843-A1 | POLYMER COMPOSITION WITH IMPROVED TEMPERATURE RESISTANCE | DSM IP Assets B.V. (NL) | 2005-01-05 | — | — | EP | disclosed |
| WO-2004096916-A1 | COMPOSITION WHICH CONTAINS BITUMEN AND POLYETHYLENE | DSM IP ASSETS B.V. (NL) | 2004-11-11 | — | — | WO | disclosed |
| WO-2004050767-A1 | LASER WRITABLE COMPOSITION | DSM IP ASSETS B.V. (NL) | 2004-06-17 | — | — | WO | disclosed |
| WO-2004050766-A1 | LASER LIGHT ABSORBING ADDITIVE | DSM IP ASSETS B.V. (NL) | 2004-06-17 | — | — | WO | disclosed |
| WO-2003087216-A1 | POLYMER COMPOSITION WITH IMPROVED TEMPERATURE RESISTANCE | DSM IP ASSETS B.V. (NL) | 2003-10-23 | — | — | WO | disclosed |