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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.46 |
| ▸ | MEN1 known ✓ | O00255 | 6/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | CDK4 | P11802 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CCND1 | P24385 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL445091 | 0.98 | SIGMAR1 (0.47) | SIGMAR1MEN1KMT2AALDH1A1USP2 | |
| SCHEMBL29413886 | 0.98 | SIGMAR1 (0.47) | SIGMAR1MEN1KMT2AALDH1A1USP2 | |
| SCHEMBL301140 | 0.87 | SMN1; SMN2 (0.50) | SIGMAR1MEN1KMT2ASMN1; SMN2NOTUM | |
| SCHEMBL28328241 | 0.86 | SMN1; SMN2 (0.46) | SIGMAR1MEN1KMT2ASMN1; SMN2NOTUM | |
| Sulfuric Acid SCHEMBL28331834 | 0.80 | KMT2A (0.51) | SIGMAR1MEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL7812431 | 0.75 | LMNA (0.41) | MEN1KMT2AALDH1A1USP2HTT | |
| SCHEMBL11464258 | 0.70 | ALDH1A1 (0.61) | MEN1KMT2AALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL28184962 | 0.69 | SIGMAR1 (0.41) | SIGMAR1MEN1KMT2AALDH1A1USP2 | |
| SCHEMBL8132530 | 0.69 | POLB (0.46) | MEN1KMT2AHTTSMN1; SMN2 | |
| SCHEMBL10716518 | 0.68 | MEN1 (0.42) | SIGMAR1MEN1KMT2AALDH1A1USP2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3116558-B1 | LIGHT-TRIGGERED SHAPE-CHANGEABLE HYDROGELS AND THEIR USE IN OPTICAL DEVICES | CALIFORNIA INST OF TECHN (US) | 2018-10-31 | — | — | EP | claimed |
| EP-3116558-A1 | LIGHT-TRIGGERED SHAPE-CHANGEABLE HYDROGELS AND THEIR USE IN OPTICAL DEVICES | California Institute of Technology (US) | 2017-01-18 | — | — | EP | claimed |
| WO-2015138187-A1 | LIGHT-TRIGGERED SHAPE-CHANGEABLE HYDROGELS AND THEIR USE IN OPTICAL DEVICES | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2015-09-17 | — | — | WO | claimed |
| US-20150258240-A1 | LIGHT-TRIGGERED SHAPE-CHANGEABLE HYDROGELS AND THEIR USE IN OPTICAL DEVICES | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2015-09-17 | — | — | US | claimed |
| US-10765777-B2 | Light adjustable intraocular lenses using upconverting core-shell nanoparticles and near infrared (NIR) light | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2020-09-08 | — | — | US | disclosed |
| US-20190001024-A1 | Light Adjustable Intraocular Lenses Using Upconverting Core-Shell Nanoparticles And Near Infrared (NIR) Light | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2019-01-03 | — | — | US | disclosed |
| WO-2019005943-A1 | LIGHT ADJUSTABLE INTRAOCULAR LENSES USING UPCONVERTING CORE-SHELL NANOPARTICLES AND NEAR INFRARED (NIR) LIGHT | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2019-01-03 | — | — | WO | disclosed |
| EP-3116558-B1 | LIGHT-TRIGGERED SHAPE-CHANGEABLE HYDROGELS AND THEIR USE IN OPTICAL DEVICES | CALIFORNIA INST OF TECHN (US) | 2018-10-31 | — | — | EP | disclosed |
| EP-3116558-A1 | LIGHT-TRIGGERED SHAPE-CHANGEABLE HYDROGELS AND THEIR USE IN OPTICAL DEVICES | California Institute of Technology (US) | 2017-01-18 | — | — | EP | disclosed |
| WO-2015138187-A1 | LIGHT-TRIGGERED SHAPE-CHANGEABLE HYDROGELS AND THEIR USE IN OPTICAL DEVICES | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2015-09-17 | — | — | WO | disclosed |
| US-20150258240-A1 | LIGHT-TRIGGERED SHAPE-CHANGEABLE HYDROGELS AND THEIR USE IN OPTICAL DEVICES | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2015-09-17 | — | — | US | disclosed |