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 | |
|---|---|---|---|---|
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.32 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.32 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.31 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30772132 | 0.97 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRCA2GABRA1 | |
| SCHEMBL732202 | 0.97 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRCA2GABRA1 | |
| SCHEMBL22367879 | 0.95 | ALDH1A1 (0.48) | ALDH1A1TDP1TSHRCA2GABRA1 | |
| SCHEMBL6256646 | 0.95 | ALDH1A1 (0.48) | ALDH1A1TDP1TSHRCA2GABRA1 | |
| SCHEMBL27669481 | 0.90 | ALDH1A1 (0.44) | ALDH1A1TDP1TSHRCA2GABRA1 | |
| SCHEMBL9396200 | 0.81 | ALDH1A1 (0.39) | ALDH1A1TDP1TSHRCA2GABRA1 | |
| Tromethamine SCHEMBL6864022 | 0.80 | ALDH1A1 (0.41) | ALDH1A1TDP1TSHRCA2GABRA1 | |
| SCHEMBL28696471 | 0.78 | ALDH1A1 (0.43) | ALDH1A1TDP1TSHRCA2GABRA1 | |
| Trifluoromethanesulfonic Acid SCHEMBL4225729 | 0.78 | TSHR (0.44) | ALDH1A1TDP1TSHRCA2CYP1A2 | |
| SCHEMBL14849661 | 0.77 | ALDH1A1 (0.42) | ALDH1A1TDP1TSHRCA2GABRA1 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2776889-A1 | ACTINIC RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC RAY- OR RADIATION-SENSITIVE FILM AND METHOD OF FORMING PATTERN | FUJIFILM Corporation (JP) | 2014-09-17 | — | — | EP | disclosed |
| EP-2616881-A1 | METHOD OF FORMING PATTERN | FUJIFILM Corporation (JP) | 2013-07-24 | — | — | EP | disclosed |
| EP-2609468-A1 | METHOD OF FORMING PATTERN AND DEVELOPER FOR USE IN THE METHOD | FUJIFILM Corporation (JP) | 2013-07-03 | — | — | EP | disclosed |
| WO-2013069753-A1 | ACTINIC RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC RAY- OR RADIATION-SENSITIVE FILM AND METHOD OF FORMING PATTERN | FUJIFILM CORPORATION (JP) | 2013-05-16 | — | — | WO | disclosed |
| WO-2013065878-A1 | METHOD OF FORMING PATTERN AND COMPOSITION FOR CROSSLINKED LAYER FORMATION TO BE USED IN THE METHOD | FUJIFILM CORPORATION (JP) | 2013-05-10 | — | — | WO | disclosed |
| EP-2580624-A1 | ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC-RAY- OR RADIATION-SENSITIVE FILM THEREFROM AND METHOD OF FORMING PATTERN USING THE COMPOSITION | FUJIFILM Corporation (JP) | 2013-04-17 | — | — | EP | disclosed |
| EP-2577397-A1 | PATTERN FORMING METHOD AND ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION | FUJIFILM Corporation (JP) | 2013-04-10 | — | — | EP | disclosed |
| WO-2013002295-A1 | METHOD OF FORMING PATTERN AND ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION | FUJIFILM CORPORATION (JP) | 2013-01-03 | — | — | WO | disclosed |
| EP-2539769-A1 | PATTERN FORMING METHOD AND RESIST COMPOSITION | FUJIFILM Corporation (JP) | 2013-01-02 | — | — | EP | disclosed |
| EP-2478415-A1 | ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING A PATTERN USING THE SAME | FUJIFILM Corporation (JP) | 2012-07-25 | — | — | EP | disclosed |
| EP-2470958-A1 | ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE COMPOSITION | FUJIFILM Corporation (JP) | 2012-07-04 | — | — | EP | disclosed |
| WO-2012086850-A1 | ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC-RAY- OR RADIATION-SENSITIVE FILM THEREFROM AND METHOD OF FORMING PATTERN USING THE COMPOSITION | FUJIFILM CORPORATION (JP) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012043866-A1 | ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC-RAY- OR RADIATION-SENSITIVE FILM AND METHOD OF FORMING PATTERN | FUJIFILM CORPORATION (JP) | 2012-04-05 | — | — | WO | disclosed |
| WO-2012036315-A1 | METHOD OF FORMING PATTERN | FUJIFILM CORPORATION (JP) | 2012-03-22 | — | — | WO | disclosed |
| WO-2012026621-A1 | ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN THEREWITH | FUJIFILM CORPORATION (JP) | 2012-03-01 | — | — | WO | disclosed |
| WO-2012026622-A1 | METHOD OF FORMING PATTERN AND DEVELOPER FOR USE IN THE METHOD | FUJIFILM CORPORATION (JP) | 2012-03-01 | — | — | WO | disclosed |
| WO-2011149035-A1 | PATTERN FORMING METHOD AND ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION | FUJIFILM CORPORATION (JP) | 2011-12-01 | — | — | WO | disclosed |