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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.46 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.46 |
| ▸ | PKLR known ✓ | P30613 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
| ▸ | SERPINE1 | P05121 | 7/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | NT5E | P21589 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | NSD2 | O96028 | 1/20 | 0.43 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6368593 | 0.98 | ALDH1A1 (0.65) | ALDH1A1HSD17B10KDM4EHPGDSERPINE1 | |
| SCHEMBL5097099 | 0.98 | ALDH1A1 (0.65) | ALDH1A1HSD17B10KDM4EHPGDSERPINE1 | |
| SCHEMBL9492667 | 0.98 | ALDH1A1 (0.65) | ALDH1A1HSD17B10KDM4EHPGDSERPINE1 | |
| SCHEMBL307133 | 0.95 | ALDH1A1 (0.68) | ALDH1A1HSD17B10KDM4EHPGDSERPINE1 | |
| SCHEMBL29382034 | 0.95 | ALDH1A1 (0.68) | ALDH1A1HSD17B10KDM4EHPGDSERPINE1 | |
| Ammonia Solution, Strong SCHEMBL2450277 | 0.93 | ALDH1A1 (0.65) | ALDH1A1HSD17B10KDM4EHPGDSERPINE1 | |
| SCHEMBL1974070 | 0.86 | ALDH1A1 (0.64) | ALDH1A1HSD17B10KDM4EHPGDSERPINE1 | |
| SCHEMBL10779073 | 0.82 | HSD17B10 (0.59) | ALDH1A1HSD17B10KDM4EHPGDSERPINE1 | |
| SCHEMBL7935624 | 0.82 | HSD17B10 (0.59) | ALDH1A1HSD17B10KDM4EHPGDSERPINE1 | |
| Water SCHEMBL6369078 | 0.82 | ALDH1A1 (0.53) | ALDH1A1HSD17B10KDM4EHPGDSERPINE1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7439309-B2 | Silver halide photographic light-sensitive material, photographic emulsion, and mercapto group-containing polymer compound used for them | FUJIFILM CORPORATION (JP) | 2008-10-21 | — | — | US | disclosed |
| US-20050171296-A1 | Silver halide photographic light-sensitive material, photographic emulsion, and mercapto group-containing polymer compound used for them | FUJI PHOTO FILM CO., LTD. | 2005-08-04 | — | — | US | disclosed |
| US-6897014-B2 | Silver halide photographic light-sensitive material, photographic emulsion, and mercapto group-containing polymer compound used for them | FUJI PHOTO FILM CO., LTD. (JP) | 2005-05-24 | — | — | US | disclosed |
| US-20040038160-A1 | Silver halide photographic light-sensitive material, photographic emulsion, and mercapto group-containing polymer compound used for them | FUJIFILM CORPORATION (JP) | 2004-02-26 | — | — | US | disclosed |
| US-6287753-B1 | CONTROLLING PARTICLE SIZE | FUJI PHOTO FILM CO., LTD. (JP) | 2001-09-11 | — | — | US | disclosed |