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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.67 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.67 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.67 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.67 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.67 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.67 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.67 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.67 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.67 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.67 |
| ▸ | GRIK1 known ✓ | P39086 | 2/20 | 0.55 |
| ▸ | GRIK2 known ✓ | Q13002 | 2/20 | 0.55 |
| ▸ | PPARD known ✓ | Q03181 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 7/20 | 0.77 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.77 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.63 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.63 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL593706 | 0.97 | CA2 (0.81) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL27512663 | 0.95 | CA2 (0.77) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL11662108 | 0.95 | CA2 (0.77) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| Ammonia Solution, Strong SCHEMBL28056615 | 0.95 | CA2 (0.77) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL28705826 | 0.95 | CA2 (0.77) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL4623602 | 0.95 | CA2 (0.77) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL5363866 | 0.95 | CA2 (0.77) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL14502406 | 0.95 | CA2 (0.77) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL28721695 | 0.95 | CA2 (0.77) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL14502408 | 0.92 | CA2 (0.74) | CA2MAPK1CHRM1AKR1A1CHRM3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5783632-A | DIISOCYANATE CROSSLINKER | BASF CORPORATION (US) | 1998-07-21 | — | — | US | disclosed |
| US-5612415-A | Process for coating a substrate with coatings including high Tg acrylic polymers and coated article obtained thereby | BASF CORPORATION (US) | 1997-03-18 | — | — | US | disclosed |