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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.46 |
| ▸ | PIK3CD known ✓ | O00329 | 1/20 | 0.46 |
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.46 |
| ▸ | PIK3CB known ✓ | P42338 | 1/20 | 0.46 |
| ▸ | PIK3CG known ✓ | P48736 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PDE5A | O76074 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9602828 | 0.81 | KDM4E (0.59) | KMT2AKDM4EMAPTPOLBALDH1A1 | |
| SCHEMBL2099733 | 0.77 | CNR2 (0.66) | KMT2APDE10AALDH1A1GAAPIK3CD | |
| SCHEMBL22345212 | 0.77 | PDE10A (0.64) | KMT2APDE10AKDM4EALDH1A1HPGD | |
| SCHEMBL9601993 | 0.75 | CYP11B1 (0.50) | KMT2APOLBLMNA | |
| SCHEMBL3188618 | 0.74 | TLR7 (0.67) | POLBLMNA | |
| SCHEMBL9199346 | 0.74 | CYP11B1 (0.53) | KMT2APOLBGAALMNA | |
| Hydrochloric Acid SCHEMBL3197884 | 0.73 | TLR7 (0.66) | POLBLMNA | |
| SCHEMBL13533461 | 0.71 | YTHDC1 (0.60) | POLBLMNA | |
| SCHEMBL17227679 | 0.70 | KMT2A (0.65) | KMT2APDE10AHTR6PIK3CDPIK3CA | |
| SCHEMBL3176637 | 0.69 | TLR7 (0.46) | POLBGAALMNA |
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 |