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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.68 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.68 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.68 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.68 |
| ▸ | POLB | P06746 | 1/20 | 0.79 |
| ▸ | ENPP1 | P22413 | 3/20 | 0.75 |
| ▸ | P2RY1 | P47900 | 2/20 | 0.75 |
| ▸ | DNPH1 | O43598 | 1/20 | 0.68 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.68 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.68 |
| ▸ | LDHA | P00338 | 1/20 | 0.68 |
| ▸ | FBP1 | P09467 | 1/20 | 0.68 |
| ▸ | SRC | P12931 | 1/20 | 0.68 |
| ▸ | P2RY2 | P41231 | 1/20 | 0.68 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.68 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.68 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.68 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.68 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL11927745 | 0.99 | POLB (0.81) | POLBENPP1P2RY1DNPH1PRKAB2 | |
| SCHEMBL20341113 | 0.99 | POLB (0.81) | POLBENPP1P2RY1DNPH1PRKAB2 | |
| SCHEMBL18785113 | 0.99 | POLB (0.81) | POLBENPP1P2RY1DNPH1PRKAB2 | |
| SCHEMBL4546151 | 0.99 | POLB (0.81) | POLBENPP1P2RY1DNPH1PRKAB2 | |
| SCHEMBL48174 | 0.99 | POLB (0.81) | POLBENPP1P2RY1DNPH1PRKAB2 | |
| SCHEMBL543475 | 0.99 | POLB (0.81) | POLBENPP1P2RY1DNPH1PRKAB2 | |
| SCHEMBL7882477 | 0.99 | POLB (0.81) | POLBENPP1P2RY1DNPH1PRKAB2 | |
| Triphosphate SCHEMBL27892354 | 0.95 | POLB (0.81) | POLBENPP1P2RY1DNPH1PRKAB2 | |
| SCHEMBL24538794 | 0.92 | POLB (0.77) | POLBENPP1P2RY1DNPH1PRKAB2 | |
| SCHEMBL8742200 | 0.92 | POLB (0.77) | POLBENPP1P2RY1DNPH1PRKAB2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2509990-A1 | NOVEL PHOSPH(ON)ATE- AND SULF(ON)ATE-BASED PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS | Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) | 2012-10-17 | — | — | EP | disclosed |
| US-20120245029-A1 | NOVEL PHOSPH(ON)ATE- AND SULF(ON)ATE-BASED PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS | KATHOLIEKE UNIVERSITEIT LEUVEN (BE) | 2012-09-27 | — | — | US | disclosed |
| US-8242087-B2 | Phosphate modified nucleosides useful as substrates for polymerases and as antiviral agents | K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) | 2012-08-14 | — | — | US | disclosed |
| US-20120108533-A1 | NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) | 2012-05-03 | — | — | US | disclosed |
| EP-2424874-A1 | NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL ANGENTS | Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) | 2012-03-07 | — | — | EP | disclosed |
| WO-2011069688-A1 | NOVEL PHOSPH(ON)ATE- AND SULF(ON)ATE-BASED PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2011-06-16 | — | — | WO | disclosed |
| US-20110112046-A9 | PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS | K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) | 2011-05-12 | — | — | US | disclosed |
| WO-2010125200-A1 | NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL ANGENTS | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2010-11-04 | — | — | WO | disclosed |
| US-20100093656-A1 | PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS | K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) | 2010-04-15 | — | — | US | disclosed |
| EP-2144921-A2 | PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS | K.U. Leuven Research and Development (BE) | 2010-01-20 | — | — | EP | disclosed |
| WO-2008104408-A2 | PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS | K. U. LEUVEN RESEARCH & DEVELOPMENT (BE) | 2008-09-04 | — | — | 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 (4 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-20110112046-A9 | PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS | MTAP, POLRMT, PNP | ADRB2 4815/4885ADORA1 337/4885PDE4D 746/4885 |
| US-20100093656-A1 | PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS | MTAP, POLRMT, PNP | ADRB2 4815/4885ADORA1 337/4885PDE4D 746/4885 |
| US-20120108533-A1 | NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS | PNP, TYMP, MTAP | ADRB2 4201/4885ADORA1 316/4885PDE4D 1228/4885 |
| US-20120245029-A1 | NOVEL PHOSPH(ON)ATE- AND SULF(ON)ATE-BASED PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS | TYMP, PNP, MTAP | ADRB2 3091/4885ADORA1 67/4885PDE4D 2423/4885 |
“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.