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 | 0.63 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.63 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.63 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.63 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.59 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.59 |
| ▸ | ADORA2B known ✓ | P29275 | 1/20 | 0.59 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.58 |
| ▸ | P2RY2 | P41231 | 4/20 | 0.63 |
| ▸ | P2RY1 | P47900 | 4/20 | 0.63 |
| ▸ | SRC | P12931 | 2/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.63 |
| ▸ | DNPH1 | O43598 | 1/20 | 0.63 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.63 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.63 |
| ▸ | LDHA | P00338 | 1/20 | 0.63 |
| ▸ | FBP1 | P09467 | 1/20 | 0.63 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.63 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.63 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL756245 | 0.99 | P2RY2 (0.64) | P2RY2P2RY1SRCSMN1; SMN2DNPH1 | |
| SCHEMBL3164897 | 0.90 | P2RY2 (0.65) | P2RY2P2RY1SRCSMN1; SMN2DNPH1 | |
| SCHEMBL9853314 | 0.90 | NT5E (0.59) | P2RY2P2RY1SRCSMN1; SMN2DNPH1 | |
| SCHEMBL8970175 | 0.90 | NT5E (0.59) | P2RY2P2RY1SRCSMN1; SMN2DNPH1 | |
| SCHEMBL8862998 | 0.90 | NT5E (0.59) | P2RY2P2RY1SRCSMN1; SMN2DNPH1 | |
| SCHEMBL6699115 | 0.89 | P2RY1 (0.57) | P2RY2P2RY1SRCSMN1; SMN2DNPH1 | |
| SCHEMBL7231385 | 0.89 | P2RY2 (0.64) | P2RY2P2RY1SRCSMN1; SMN2DNPH1 | |
| SCHEMBL5320373 | 0.88 | P2RY2 (0.63) | P2RY2P2RY1SRCSMN1; SMN2DNPH1 | |
| SCHEMBL2791974 | 0.88 | P2RY2 (0.63) | P2RY2P2RY1SRCSMN1; SMN2DNPH1 | |
| SCHEMBL10824469 | 0.88 | P2RY1 (0.63) | P2RY2P2RY1SRCSMN1; SMN2DNPH1 |
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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1658846-A1 | Substituted-1,5-dideoxy-1,5-imino-D-glucitol compounds for treating hepatitis virus infections | G.D. SEARLE & CO. (US) | 2006-05-24 | — | — | EP | claimed |
| US-20050119310-A1 | Use of n-substituted-1,5-dideoxy-1,5-imino-d-glucitol compounds for treating hepatitis virus infections | PHARMACIA CORPORATION | 2005-06-02 | — | — | US | claimed |
| US-6747149-B2 | ADMINISTERING VIRICIDES SUCH AS N-NONENYL GLUCOSAMINE, AND OPTIONALLY WITH MIXTURES OF NUCLEOSIDES, NUCLEOTIDES, IMMUNOMODULATORS OR IMMUNOSTIMULANTS FOR PROPHYLAXIS VIRAL DISEASES | G. D. SEARLE & CO. | 2004-06-08 | — | — | US | claimed |
| US-20030220299-A1 | Especially treating hepatitis B and hepatitis C; may be used alone, or in combination with another antiviral agent such as nucleosides, nucleotides, immunomodulators, and/or immunostimulants | G.D. SEARLE & CO. | 2003-11-27 | — | — | US | claimed |
| US-20030195229-A1 | Glucamine salts for treating hepatitis virus infections | PHARMACIA CORPORATION | 2003-10-16 | — | — | US | claimed |
| US-6515028-B1 | Used alone, or in combination with another antiviral agents selected from among nucleosides, nucleotides, immunomodulators, immunostimulants or various combinations of such other agents | G.D. SEARLE & CO. | 2003-02-04 | — | — | US | claimed |
| JP-2002502875-A | — | — | 2002-01-29 | — | — | JP | claimed |
| EP-1061922-A1 | USE OF $i(N)-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS | G.D. SEARLE & CO. (US) | 2000-12-27 | — | — | EP | claimed |
| WO-1999040916-A1 | USE OF N-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS | G.D. SEARLE & CO. (US) | 1999-08-19 | — | — | WO | claimed |
| US-20140294763-A1 | PEPTIDOMIMETIC PROTEASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED | 2014-10-02 | — | — | US | disclosed |
| EP-2368877-B1 | Peptidomimetic protease inhibitors and intermediates for their preparation As treatment for HCV infection | VERTEX PHARMA (US) | 2014-05-07 | — | — | EP | disclosed |
| US-20130344476-A1 | HEPATITIS C VIRUS VARIANTS | VERTEX PHARMACEUTICALS INCORPORATED | 2013-12-26 | — | — | US | disclosed |
| EP-1958956-B1 | Peptidomimetic protease inhibitors | VERTEX PHARMA (US) | 2013-12-11 | — | — | EP | disclosed |
| US-8529882-B2 | Peptidomimetic protease inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-09-10 | — | — | US | disclosed |
| US-20050136400-A1 | NS3-NS4A protease resistance mutants | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-06-23 | — | — | US | disclosed |
| US-20050119310-A1 | Use of n-substituted-1,5-dideoxy-1,5-imino-d-glucitol compounds for treating hepatitis virus infections | PHARMACIA CORPORATION | 2005-06-02 | — | — | US | disclosed |
| US-6809083-B1 | INHIBITING REPLICATION AND SECRETION; REDUCED TOXICITY | UNITHER VIROLOGY, LLC | 2004-10-26 | — | — | US | disclosed |
| EP-1320540-A2 | PEPTIDOMIMETIC PROTEASE INHIBITORS | ELI LILLY AND COMPANY (US) | 2003-06-25 | — | — | EP | disclosed |
| US-6515028-B1 | Used alone, or in combination with another antiviral agents selected from among nucleosides, nucleotides, immunomodulators, immunostimulants or various combinations of such other agents | G.D. SEARLE & CO. | 2003-02-04 | — | — | US | disclosed |
| WO-2002018369-A2 | PEPTIDOMIMETIC PROTEASE INHIBITORS | ELI LILLY AND COMPANY (US) | 2002-03-07 | — | — | 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 (5 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-20030195229-A1 | Glucamine salts for treating hepatitis virus infections | UGGT1, GYS2, MGAT3 | ADRB2 710/4885ADORA1 142/4885PDE4D 2570/4885 |
| US-20140294763-A1 | PEPTIDOMIMETIC PROTEASE INHIBITORS | CTSC, PREP, PEPD | ADRB2 4569/4885ADORA1 3299/4885PDE4D 1460/4885 |
| US-20050119310-A1 | Use of n-substituted-1,5-dideoxy-1,5-imino-d-glucitol compounds for treating hepatitis virus infections | HAVCR2, DERA, IMPDH1 | ADRB2 3107/4885ADORA1 256/4885PDE4D 1763/4885 |
| US-20050136400-A1 | NS3-NS4A protease resistance mutants | ATG4A, CUL4A, DPP4 | ADRB2 4871/4885ADORA1 4648/4885PDE4D 1658/4885 |
| US-20030220299-A1 | Especially treating hepatitis B and hepatitis C; may be used alone, or in combination with another antiviral agent such as nucleosides, nucleotides, immunomodulators, and/or immunostimulants | IMPDH1, HAVCR2, IMPDH2 | ADRB2 1677/4885ADORA1 75/4885PDE4D 860/4885 |
“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.