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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.34 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.32 |
| ▸ | PI4KA | P42356 | 1/20 | 0.30 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.30 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.30 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL94915 | 0.98 | ADORA2A (0.35) | ADORA2AADORA1NUDT1PI4KAPI4K2B | |
| SCHEMBL3799507 | 0.78 | ADORA2A (0.37) | ADORA2AADORA1NUDT1PI4KAPI4K2B | |
| SCHEMBL8906323 | 0.76 | AKT2 (0.44) | ADORA2AADORA1NUDT1PI4KAPI4K2B | |
| SCHEMBL5667619 | 0.74 | ADORA2A (0.43) | ADORA2AADORA1NUDT1PI4KAPI4K2B | |
| SCHEMBL612166 | 0.74 | ADORA2A (0.35) | ADORA2AADORA1NUDT1PI4KAPI4K2B | |
| SCHEMBL16513158 | 0.74 | ADORA2A (0.35) | ADORA2AADORA1NUDT1PI4KAPI4K2B | |
| SCHEMBL843169 | 0.74 | ADORA2A (0.61) | ADORA2AADORA1NUDT1PI4KAPI4K2B | |
| SCHEMBL6360434 | 0.74 | NUDT1 (0.36) | ADORA2AADORA1NUDT1PI4KAPI4K2B | |
| SCHEMBL9731844 | 0.74 | ADORA2A (0.33) | ADORA2AADORA1NUDT1 | |
| Water SCHEMBL3986353 | 0.73 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7473790-B2 | Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same | PFIZER INC. (US) | 2009-01-06 | — | — | US | disclosed |
| US-7148226-B2 | Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same | AGOURON PHARMACEUTICALS, INC. (US) | 2006-12-12 | — | — | US | disclosed |
| US-20060189681-A1 | INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME | AGOURON PHARMACEUTICALS, INC. | 2006-08-24 | — | — | US | disclosed |
| EP-1597246-A2 | INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME | PFIZER INC. (US) | 2005-11-23 | — | — | EP | disclosed |
| US-20050176701-A1 | Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same | AGOURON PHARMACEUTICALS, INC. | 2005-08-11 | — | — | US | disclosed |
| WO-2004074270-A2 | INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME | PFIZER INC. (US) | 2004-09-02 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060189681-A1 | INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME | RNASE1, RNASEH1, NSUN3 | ADORA2A 1252/4885ADORA1 418/4885NUDT1 237/4885 |
| US-20050176701-A1 | Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same | RNASE1, RNASEH1, NSUN3 | ADORA2A 1252/4885ADORA1 418/4885NUDT1 237/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.