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 | |
|---|---|---|---|---|
| ▸ | HTR6 known ✓ | P50406 | 2/20 | 0.50 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.49 |
| ▸ | SCN1A known ✓ | P35498 | 2/20 | 0.46 |
| ▸ | SCN2A known ✓ | Q99250 | 2/20 | 0.46 |
| ▸ | SCN3A known ✓ | Q9NY46 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.61 |
| ▸ | CA2 | P00918 | 1/20 | 0.61 |
| ▸ | CA9 | Q16790 | 1/20 | 0.61 |
| ▸ | TTR | P02766 | 2/20 | 0.57 |
| ▸ | F2 | P00734 | 3/20 | 0.55 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.55 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.55 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.55 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.50 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | ATIC | P31939 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL4291375 | 1.00 | CA1 (0.61) | CA1CA2CA9TTRF2 | |
| Water SCHEMBL11359521 | 1.00 | CA1 (0.61) | CA1CA2CA9TTRF2 | |
| Water SCHEMBL27657904 | 1.00 | CA1 (0.61) | CA1CA2CA9TTRF2 | |
| Water SCHEMBL11328446 | 0.98 | CA1 (0.59) | CA1CA2CA9TTRF2 | |
| SCHEMBL27719293 | 0.98 | CA1 (0.63) | CA1CA2CA9TTRF2 | |
| SCHEMBL30304762 | 0.98 | CA1 (0.63) | CA1CA2CA9TTRF2 | |
| SCHEMBL29358913 | 0.98 | CA1 (0.63) | CA1CA2CA9TTRF2 | |
| SCHEMBL4323 | 0.98 | CA1 (0.63) | CA1CA2CA9TTRF2 | |
| Phosphine SCHEMBL25249741 | 0.96 | CA1 (0.61) | CA1CA2CA9TTRF2 | |
| Ammonia Solution, Strong SCHEMBL2232716 | 0.96 | CA1 (0.61) | CA1CA2CA9TTRF2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0793140-B1 | Processing composition for silver halide photographic light-sensitive material, developer and processing method using the same | FUJI PHOTO FILM CO LTD (JP) | 2000-08-09 | — | — | EP | disclosed |
| US-5994040-A | USING A HYDROXYANILINE COMPOUND | FUJI PHOTO FILM CO., LTD. (JP) | 1999-11-30 | — | — | US | disclosed |
| EP-0793140-A1 | Processing composition for silver halide photographic light-sensitive material, developer and processing method using the same | FUJI PHOTO FILM CO., LTD. (JP) | 1997-09-03 | — | — | EP | disclosed |