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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 6/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | SI | P14410 | 1/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 SCHEMBL8356208 | 1.00 | HCAR2 (0.50) | HCAR2GAAMGAMSIMGAM2 | |
| SCHEMBL132383 | 0.98 | HCAR2 (0.52) | HCAR2GAAMGAMSIMGAM2 | |
| SCHEMBL19612450 | 0.96 | HCAR2 (0.50) | HCAR2GAAMGAMSIMGAM2 | |
| Hydroxyamine SCHEMBL7066541 | 0.94 | HCAR2 (0.48) | HCAR2GAAMGAMSIMGAM2 | |
| Urea SCHEMBL11584414 | 0.92 | HCAR2 (0.47) | HCAR2GAAMGAMSIMGAM2 | |
| SCHEMBL11648494 | 0.92 | HCAR2 (0.47) | HCAR2GAAMGAMSIMGAM2 | |
| Acrylic Acid SCHEMBL4558161 | 0.91 | HCAR2 (0.46) | HCAR2GAAMGAMSIMGAM2 | |
| SCHEMBL8519773 | 0.89 | HCAR2 (0.44) | HCAR2GAAMGAMSIMGAM2 | |
| Urethane SCHEMBL5604647 | 0.89 | ALOX15 (0.52) | HCAR2GAAMGAMSIMGAM2 | |
| SCHEMBL5690799 | 0.85 | — | — |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3046778-B1 | THERMO TRANSFER FILMS FOR THE DRY LACQUERING OF SURFACES | BASF SE (DE) | 2017-12-20 | — | — | EP | claimed |
| EP-0135971-B1 | METHOD OF OPTICALLY CONNECTING A LIGHT CONDUCTOR TO AN ELECTRO-OPTICAL DEVICE | Koninklijke Philips Electronics N.V. (NL) | 1988-07-27 | — | — | EP | claimed |
| EP-0135971-A2 | Method of optically connecting a light conductor to an electro-optical device | Koninklijke Philips Electronics N.V. (NL) | 1985-04-03 | — | — | EP | claimed |
| EP-0130680-A2 | Cure to elastomers composition | LOCTITE CORPORATION (US) | 1985-01-09 | — | — | EP | claimed |
| US-4439600-A | Cure to elastomers compositions | LOCTITE CORPORATION (US) | 1984-03-27 | — | — | US | claimed |
| US-11952453-B2 | Radiation curable compositions for coating optical fiber and the coatings produced therefrom | COVESTRO (NETHERLANDS) B.V (NL) | 2024-04-09 | — | — | US | disclosed |
| CN-117338303-B | Temperature-control viscosity multichannel hydrogel electrode for intra-operative intracranial electroencephalogram monitoring | 华中科技大学 | 2024-03-26 | — | — | CN | disclosed |
| CN-112512488-B | External gel preparation for skin | 株式会社资生堂 | 2024-02-02 | — | — | CN | disclosed |
| CN-117338303-A | Temperature-control viscosity multichannel hydrogel electrode for intra-operative intracranial electroencephalogram monitoring | 华中科技大学 | 2024-01-05 | — | — | CN | disclosed |
| CN-112573838-B | Optical fiber article and its production and use | 肖特股份有限公司 | 2023-12-26 | — | — | CN | disclosed |
| US-11256028-B2 | Thermally resistant radiation curable coatings for optical fiber | COVESTRO (NETHERLANDS) B.V. (NL) | 2022-02-22 | — | — | US | disclosed |
| US-20220017773-A1 | FILLED RADIATION CURABLE COMPOSITIONS FOR COATING OPTICAL FIBER AND THE COATINGS PRODUCED THEREFROM | COVESTRO (NETHERLANDS) B.V. (NL) | 2022-01-20 | — | — | US | disclosed |
| WO-2020114902-A1 | FILLED RADIATION CURABLE COMPOSITIONS FOR COATING OPTICAL FIBER AND THE COATINGS PRODUCED THEREFROM | DSM IP ASSETS B.V. (NL) | 2020-06-11 | — | — | WO | disclosed |
| US-20200166700-A1 | THERMALLY RESISTANT RADIATION CURABLE COATINGS FOR OPTICAL FIBER | COVESTRO (NETHERLANDS) B.V. (NL) | 2020-05-28 | — | — | US | disclosed |
| EP-3630693-A1 | THERMALLY RESISTANT RADIATION CURABLE COATINGS FOR OPTICAL FIBER | DSM IP Assets B.V. (NL) | 2020-04-08 | — | — | EP | disclosed |
| WO-2018220605-A1 | THERMALLY RESISTANT RADIATION CURABLE COATINGS FOR OPTICAL FIBER | DSM IP ASSETS BV (NL) | 2018-12-06 | — | — | WO | disclosed |
| WO-2009150585-A1 | MICRO-FLUIDIC SYSTEMS BASED ON ACTUATOR ELEMENTS | KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) | 2009-12-17 | — | — | WO | disclosed |
| EP-0135971-B1 | METHOD OF OPTICALLY CONNECTING A LIGHT CONDUCTOR TO AN ELECTRO-OPTICAL DEVICE | Koninklijke Philips Electronics N.V. (NL) | 1988-07-27 | — | — | EP | disclosed |
| EP-0135971-A2 | Method of optically connecting a light conductor to an electro-optical device | Koninklijke Philips Electronics N.V. (NL) | 1985-04-03 | — | — | EP | disclosed |
| EP-0135971-A2 | Method of optically connecting a light conductor to an electro-optical device | Koninklijke Philips Electronics N.V. (NL) | 1985-04-03 | — | — | EP | disclosed |