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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 known ✓ | Q92731 | 2/20 | 0.33 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.32 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.31 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1618598 | 0.98 | KCNN4 (0.43) | KCNN4KIF11TRPA1ATMGABRA1 | |
| Iodide SCHEMBL1618290 | 0.96 | KCNN4 (0.41) | KCNN4KIF11TRPA1ATMGABRA1 | |
| SCHEMBL7437441 | 0.84 | KCNN4 (0.42) | KCNN4KIF11GABRA1GABRB2TAAR1 | |
| Trifluoromethanesulfonic Acid SCHEMBL1618856 | 0.83 | PTPN1 (0.38) | KCNN4KIF11TRPA1ATMGABRA1 | |
| Hydrochloric Acid SCHEMBL2967639 | 0.82 | KCNN4 (0.41) | KCNN4KIF11GABRA1GABRB2TAAR1 | |
| SCHEMBL4615965 | 0.82 | KCNN4 (0.46) | KCNN4KIF11TRPA1ATMGABRA1 | |
| Bromide SCHEMBL9346402 | 0.82 | KCNN4 (0.41) | KCNN4KIF11GABRA1GABRB2TAAR1 | |
| SCHEMBL5598485 | 0.79 | ESR1 (0.44) | KCNN4KIF11TRPA1ATMGABRA1 | |
| SCHEMBL3740131 | 0.79 | ESR1 (0.42) | KCNN4KIF11TRPA1ATMGABRA1 | |
| Water SCHEMBL10401166 | 0.78 | TRPA1 (0.44) | TRPA1ATMGABRA1GABRB2MAPT |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7662541-B2 | Photosensitive resin composition and photosensitive dry film by the use thereof | TOKYO OHKA KOGYO CO., LTD. (JP) | 2010-02-16 | — | — | US | disclosed |
| EP-1825328-B1 | PHOTOSENSITIVE RESIN COMPOSITION AND PHOTOSENSITIVE DRY FILM BY THE USE THEREOF | TOKYO OHKA KOGYO CO LTD (JP) | 2009-04-15 | — | — | EP | disclosed |
| US-20070292804-A1 | Photosensitive Resin Composition and Photosensitive Dry Film by the Use Thereof | TOKYO OHKA KOGYO CO., LTD. (JP) | 2007-12-20 | — | — | US | disclosed |
| EP-1825328-A2 | PHOTOSENSITIVE RESIN COMPOSITION AND PHOTOSENSITIVE DRY FILM BY THE USE THEREOF | TOKYO OHKA KOGYO CO., LTD. (JP) | 2007-08-29 | — | — | EP | disclosed |
| EP-1810083-A1 | PHOTOSENSITIVE RESIN COMPOSITION AND PHOTOSENSITIVE DRY FILM BY THE USE THEREOF | TOKYO OHKA KOGYO CO., LTD. (JP) | 2007-07-25 | — | — | EP | disclosed |
| WO-2006057423-A2 | PHOTOSENSITIVE RESIN COMPOSITION AND PHOTOSENSITIVE DRY FILM BY THE USE THEREOF | TOKYO OHKA KOGYO CO., LTD. (JP) | 2006-06-01 | — | — | WO | disclosed |
| WO-2006049049-A1 | PHOTOSENSITIVE RESIN COMPOSITION AND PHOTOSENSITIVE DRY FILM BY THE USE THEREOF | TOKYO OHKA KOGYO CO., LTD. (JP) | 2006-05-11 | — | — | WO | disclosed |
| US-5908720-A | CARBON BLACK COATED WITH A RESIN OBTAINED FROM ONE OR MORE POLYMERIZABLE MONOMERS HAVING AT LEAST ONE REACTIVE GROUP SELECTED FROM THE GROUP CONSISTING OF EPOXY, THIOEPOXY, OXAZOLINE, AZILIDINE AND HYDROXYALKYL AMIDE GROUPS | TOKYO OHKA KOGYO CO., LTD. (JP) | 1999-06-01 | — | — | US | disclosed |