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 | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 3/20 | 0.46 |
| ▸ | ESR1 known ✓ | P03372 | 2/20 | 0.46 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.44 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.41 |
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | MIF | P14174 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL9446142 | 0.98 | CA12 (0.49) | CA12CA9MIFESR2ESR1 | |
| SCHEMBL28234020 | 0.83 | ALOX5 (0.54) | CA12CA9MIFESR2ESR1 | |
| SCHEMBL6269206 | 0.82 | MAPT (0.61) | MAPTMEN1HPGDKMT2ASMN1; SMN2 | |
| Methane SCHEMBL28112789 | 0.82 | ALOX5 (0.52) | CA12CA9MIFESR2ESR1 | |
| SCHEMBL4636219 | 0.81 | ESR2 (0.55) | CA12ESR2ESR1MAPTMEN1 | |
| SCHEMBL24042748 | 0.80 | ESR2 (0.47) | CA12CA9MIFESR2ESR1 | |
| SCHEMBL31621429 | 0.79 | KMO (0.40) | MIFESR2ESR1MAPTHSD17B10 | |
| SCHEMBL6573399 | 0.78 | PLA2G7 (0.62) | CA12CA9MAPTMEN1HPGD | |
| SCHEMBL29807938 | 0.78 | ALDH1A1 (0.62) | CA12MAPTMEN1HPGDKMT2A | |
| SCHEMBL1022489 | 0.78 | ALDH1A1 (0.62) | CA12MAPTMEN1HPGDKMT2A |
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 297 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8030386-B2 | Golf ball compositions | ACUSHNET COMPANY (US) | 2011-10-04 | — | — | US | claimed |
| US-20080274831-A1 | GOLF BALL COMPOSITIONS | JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT | 2008-11-06 | — | — | US | claimed |
| US-20080268982-A1 | Golf Ball Compositions | ACUSHNET COMPANY | 2008-10-30 | — | — | US | claimed |
| US-20070213440-A1 | Rubber compositions comprising hydroquinones and the use thereof in golf balls | ACUSHNET COMPANY | 2007-09-13 | — | — | US | claimed |
| US-20200086174-A1 | A GOLF BALL COMPRISING A VERY-LOW MELT FLOW INNER COVER LAYER COMPOSITION | JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT | 2020-03-19 | — | — | US | disclosed |
| US-10478674-B2 | Golf ball comprising a very-low melt flow inner cover layer composition | ACUSHNET COMPANY (US) | 2019-11-19 | — | — | US | disclosed |
| US-10478675-B2 | Multi-layer core golf ball | ACUSHNET COMPANY (US) | 2019-11-19 | — | — | US | disclosed |
| US-10427008-B2 | Multi-layer core golf ball incorporating intermediate composite layer comprised of functionalized nanostructures | ACUSHNET COMPANY (US) | 2019-10-01 | — | — | US | disclosed |
| US-20190192922-A1 | GOLF BALL COMPRISING MEDIUM HARDNESS GRADIENT CORE | ACUSHNET COMPANY (US) | 2019-06-27 | — | — | US | disclosed |
| US-10328313-B2 | Multi-layer core golf ball | ACUSHNET COMPANY (US) | 2019-06-25 | — | — | US | disclosed |
| US-20190118042-A1 | MULTI-LAYER CORE GOLF BALL INCORPORATING INTERMEDIATE COMPOSITE LAYER COMPRISED OF FUNCTIONALIZED NANOSTRUCTURES | ACUSHNET COMPANY (US) | 2019-04-25 | — | — | US | disclosed |
| US-10252115-B2 | Golf ball incorporating positive hardness gradient thermoset polyurethane outer cover layer | ACUSHNET COMPANY (US) | 2019-04-09 | — | — | US | disclosed |
| US-20080268982-A1 | Golf Ball Compositions | ACUSHNET COMPANY | 2008-10-30 | — | — | US | disclosed |
| US-7429221-B1 | Negative hardness gradient outer core layer for dual core golf ball | ACUSHNET COMPANY (US) | 2008-09-30 | — | — | US | disclosed |
| US-7410429-B1 | Negative hardness gradient inner core for dual core golf ball | ACUSHNET COMPANY (US) | 2008-08-12 | — | — | US | disclosed |
| US-20080153629-A1 | Thick Outer Cover Layer Golf Ball | ACUSHNET COMPANY | 2008-06-26 | — | — | US | disclosed |
| US-20080146380-A1 | Thick Outer Cover Layer Golf Ball | ACUSHNET COMPANY | 2008-06-19 | — | — | US | disclosed |
| US-20080146378-A1 | Thick Inner Cover Multi-layer Golf Ball | JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT | 2008-06-19 | — | — | US | disclosed |
| US-20070213440-A1 | Rubber compositions comprising hydroquinones and the use thereof in golf balls | ACUSHNET COMPANY | 2007-09-13 | — | — | US | disclosed |
| US-20030035917-A1 | Image making medium | HYMAN SYDNEY (US) | 2003-02-20 | — | — | US | disclosed |