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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A known ✓ | Q15858 | 2/20 | 0.49 |
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 2/20 | 0.55 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.53 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.45 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.44 |
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 SCHEMBL27916635 | 1.00 | AR (0.55) | ARHSD11B1FFAR4SCN9AALDH1A1 | |
| SCHEMBL163729 | 0.98 | HSD11B1 (0.55) | ARHSD11B1FFAR4SCN9AALDH1A1 | |
| Hydrogen Sulfide SCHEMBL27686805 | 0.95 | HSD11B1 (0.53) | ARHSD11B1FFAR4SCN9AALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL28126322 | 0.95 | HSD11B1 (0.53) | ARHSD11B1FFAR4SCN9AALDH1A1 | |
| Ethyne SCHEMBL27849625 | 0.95 | HSD11B1 (0.53) | ARHSD11B1FFAR4SCN9AALDH1A1 | |
| Methane SCHEMBL28022370 | 0.95 | HSD11B1 (0.53) | ARHSD11B1FFAR4SCN9AALDH1A1 | |
| SCHEMBL5523215 | 0.93 | KIF11 (0.54) | ARHSD11B1FFAR4SCN9AALDH1A1 | |
| SCHEMBL11286015 | 0.93 | KIF11 (0.54) | ARHSD11B1FFAR4SCN9AALDH1A1 | |
| SCHEMBL29980535 | 0.93 | KIF11 (0.54) | ARHSD11B1FFAR4SCN9AALDH1A1 | |
| Fluoride SCHEMBL27890489 | 0.93 | HSD11B1 (0.51) | ARHSD11B1FFAR4SCN9AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20030143729-A1 | DNA encoding taurine and GABA transporters and uses thereof | SYNAPTIC PHARMACEUTICAL CORPORATION | 2003-07-31 | — | — | US | disclosed |
| US-6225115-B1 | DNA encoding taurine and GABA transporters and uses thereof | SYNAPTIC PHARMACEUTICAL CORPORATION | 2001-05-01 | — | — | US | disclosed |
| US-5766848-A | RECEPTOR BINDING ASSAY TO DETECT COMPOUND BOUND TO BETAINE/G-AMINOBUTYRIC ACID TRANSPORTER EXPRESSED ON SURFACE OF NONNEURONAL CELLS | SYNAPTIC PHARMACEUTICAL CORPORATION (US) | 1998-06-16 | — | — | US | disclosed |