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 | |
|---|---|---|---|---|
| ▸ | ADORA2A known ✓ | P29274 | 2/20 | 0.38 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.37 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.37 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.37 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.37 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.37 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.35 |
| ▸ | SCN9A known ✓ | Q15858 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | AHCY | P23526 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | HRH2 | P25021 | 1/20 | 0.37 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.37 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 3/20 | 0.36 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.35 |
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 SCHEMBL9602201 | 0.79 | PLA2G2A (0.44) | LMNASMN1; SMN2PLA2G2AKDM4EALDH1A1 | |
| SCHEMBL9601945 | 0.75 | CASP3 (0.43) | CASP3PLA2G2AMPOMEN1KMT2A | |
| Water SCHEMBL9601718 | 0.71 | TLR7 (0.51) | POLBLMNASMN1; SMN2ADORA2AAHCY | |
| SCHEMBL3193723 | 0.69 | TLR7 (0.71) | POLBLMNAADORA2AAHCYKCNH2 | |
| SCHEMBL9603016 | 0.69 | TLR7 (0.51) | POLBLMNASMN1; SMN2ADORA2AAHCY | |
| SCHEMBL9602894 | 0.69 | TLR7 (0.51) | POLBLMNASMN1; SMN2ADORA2AAHCY | |
| SCHEMBL9602134 | 0.69 | TLR7 (0.51) | POLBLMNASMN1; SMN2ADORA2AAHCY | |
| SCHEMBL13435161 | 0.68 | TLR7 (0.74) | POLBLMNASMN1; SMN2ADORA2AKCNH2 | |
| SCHEMBL9602429 | 0.65 | KCNH2 (0.42) | KCNH2CASP3PLA2G2AMPOSCN9A | |
| Propionic Acid SCHEMBL9388385 | 0.64 | TLR7 (0.63) | POLBLMNASMN1; SMN2ADORA2AKCNH2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0310950-B1 | Quinoline intermediates for the synthesis of 1H-imidazo[4,5-c]quinolines and 1H-imidazo[4,5-c]quinolin-4-amimes | RIKER LABORATORIES, INC. (US) | 1993-01-13 | — | — | EP | disclosed |
| EP-0145340-B1 | 1H-Imidazo[4,5-c]quinolines and 1H-imidazo[4,5-c]quinolin-4-amines | RIKER LABORATORIES, INC. (US) | 1990-01-24 | — | — | EP | disclosed |
| US-4698348-A | 1H-imidazo[4,5-c]quinolines and their use as bronchodilating agents | RIKER LABORATORIES, INC. (US) | 1987-10-06 | — | — | US | disclosed |
| EP-0145340-A2 | 1H-Imidazo[4,5-c]quinolines and 1H-imidazo[4,5-c]quinolin-4-amines | RIKER LABORATORIES, INC. (US) | 1985-06-19 | — | — | EP | disclosed |