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 | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 4/20 | 0.67 |
| ▸ | HTR2B known ✓ | P41595 | 4/20 | 0.67 |
| ▸ | PDE4D known ✓ | Q08499 | 2/20 | 0.67 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.67 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.67 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.67 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.47 |
| ▸ | PDE4B known ✓ | Q07343 | 1/20 | 0.47 |
| ▸ | PDE4C known ✓ | Q08493 | 1/20 | 0.47 |
| ▸ | HTR2C known ✓ | P28335 | 3/20 | 0.38 |
| ▸ | DHFR known ✓ | P00374 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 7/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | POLB | P06746 | 1/20 | 0.67 |
| ▸ | HRH2 | P25021 | 1/20 | 0.67 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2059214 | 0.99 | TLR7 (0.69) | TLR7HTR2AHTR2BPDE4DLMNA | |
| Imiquimod SCHEMBL26136 | 0.81 | TLR7 (1.00) | TLR7HTR2AHTR2BPDE4DLMNA | |
| Imiquimod SCHEMBL570774 | 0.81 | TLR7 (1.00) | TLR7HTR2AHTR2BPDE4DLMNA | |
| Imiquimod SCHEMBL29357252 | 0.81 | TLR7 (1.00) | TLR7HTR2AHTR2BPDE4DLMNA | |
| Imiquimod SCHEMBL17962753 | 0.80 | TLR7 (0.97) | TLR7HTR2AHTR2BPDE4DLMNA | |
| Epetirimod SCHEMBL29454521 | 0.80 | TLR7 (0.70) | TLR7HTR2AHTR2BPDE4DLMNA | |
| Epetirimod SCHEMBL29350668 | 0.80 | TLR7 (0.70) | TLR7HTR2AHTR2BPDE4DLMNA | |
| Imiquimod SCHEMBL1301796 | 0.80 | TLR7 (0.97) | TLR7HTR2AHTR2BPDE4DLMNA | |
| Epetirimod SCHEMBL544542 | 0.80 | TLR7 (0.70) | TLR7HTR2AHTR2BPDE4DLMNA | |
| Imiquimod SCHEMBL29029396 | 0.78 | TLR7 (0.93) | TLR7HTR2AHTR2BPDE4DLMNA |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7678918-B2 | Intermediates for imidazonaphthyridines | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2010-03-16 | — | — | US | disclosed |
| US-20080091010-A1 | Intermediates for imidazonaphthyridines | GRACEWAY PHARMACEUTICALS, LLC (US) | 2008-04-17 | — | — | US | disclosed |
| US-7335773-B2 | Intermediates for imidazonaphthyridines | GRACEWAY PHARMACEUTICALS, LLC (US) | 2008-02-26 | — | — | US | disclosed |
| US-20070167481-A1 | IMIDAZONAPHTHYRIDINES | 3M INNOVATIVE PROPERTIES COMPANY | 2007-07-19 | — | — | US | disclosed |
| US-20060128674-A1 | INTERMEDIATES FOR IMIDAZONAPHTHYRIDINES | 3M INNOVATIVE PROPERTIES COMPANY | 2006-06-15 | — | — | US | disclosed |
| US-7038051-B2 | Imidazonaphthyridines | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2006-05-02 | — | — | US | disclosed |
| US-20050288320-A1 | IMIDAZONAPHTHYRIDINES | 3M INNOVATIVE PROPERTIES COMPANY | 2005-12-29 | — | — | US | disclosed |
| US-6949646-B2 | Imidazonaphthyridines | 3M INNOVATIVE PROPERTIES CO. (US) | 2005-09-27 | — | — | US | disclosed |
| US-20050107421-A1 | Imidazonaphthyridines | 3M INNOVATIVE PROPERTIES COMPANY | 2005-05-19 | — | — | US | disclosed |
| US-6894165-B2 | Imidazonaphthyridines | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2005-05-17 | — | — | US | disclosed |
| US-20030212093-A1 | Viricides, antitumor agents | 3M INNOVATIVE PROPERTIES COMPANY | 2003-11-13 | — | — | US | disclosed |
| US-6638944-B2 | Have urea containing substituent at 1-position; induce biosynthesis of cytokines such as interferon and tumor necrosis factor, exhibit antiviral and antitumor properties | 3M INNOVATIVE PROPERTIES COMPANY | 2003-10-28 | — | — | US | disclosed |
| US-6624172-B2 | Imidazonaphthyridine and tetrahydroimidazonaphthyridine compounds induce the biosynthesis of cytokines such as interferon and tumor necrosis factor, and useful as viricides and antitumor agents | 3M INNOVATIVE PROPERTIES COMPANY | 2003-09-23 | — | — | US | disclosed |
| US-20030096998-A1 | Imidazonaphtyridines | 3M INNOVATIVE PROPERTIES COMPANY | 2003-05-22 | — | — | US | disclosed |
| US-20030083500-A1 | Imidazonaphthyridines | 3M INNOVATIVE PROPERTIES COMPANY | 2003-05-01 | — | — | US | disclosed |
| US-6518280-B2 | Antiviral and antitumor properties; immunomodulators and for inducing cytokine biosynthesis in animals | 3M INNOVATIVE PROPERTIES COMPANY | 2003-02-11 | — | — | US | disclosed |
| US-6514985-B1 | Induce the biosynthesis of cytokines such as interferon and tumor necrosis factor; exhibit antiviral and antitumor properties | 3M INNOVATIVE PROPERTIES COMPANY | 2003-02-04 | — | — | US | disclosed |
| US-20020173654-A1 | Imidazonaphthyridines | 3M INNOVATIVE PROPERTIES COMPANY | 2002-11-21 | — | — | US | disclosed |
| US-20020173653-A1 | Imidazonaphthyridines | 3M INNOVATIVE PROPERTIES COMPANY | 2002-11-21 | — | — | US | disclosed |
| US-6194425-B1 | VIRICIDES, ANTITUMOR AGENTS | 3M INNOVATIVE PROPERTIES COMPANY | 2001-02-27 | — | — | US | 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 (10 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-20080091010-A1 | Intermediates for imidazonaphthyridines | IFNG, IRF3, MAVS | HTR2A 3969/4885HTR2B 4375/4885PDE4D 2349/4885 |
| US-20030083500-A1 | Imidazonaphthyridines | IFNG, IRF3, IFNAR1 | HTR2A 3705/4885HTR2B 4345/4885PDE4D 1938/4885 |
| US-20030096998-A1 | Imidazonaphtyridines | IFNG, IRF3, IFNAR1 | HTR2A 3627/4885HTR2B 4240/4885PDE4D 1844/4885 |
| US-20070167481-A1 | IMIDAZONAPHTHYRIDINES | IFNG, IRF3, IFNAR1 | HTR2A 3705/4885HTR2B 4345/4885PDE4D 1938/4885 |
| US-20060128674-A1 | INTERMEDIATES FOR IMIDAZONAPHTHYRIDINES | IFNG, IRF3, MAVS | HTR2A 3969/4885HTR2B 4375/4885PDE4D 2349/4885 |
| US-20020173653-A1 | Imidazonaphthyridines | IFNG, IRF3, IFNAR1 | HTR2A 3705/4885HTR2B 4345/4885PDE4D 1938/4885 |
| US-20020173654-A1 | Imidazonaphthyridines | IFNG, IRF3, IFNAR1 | HTR2A 3705/4885HTR2B 4345/4885PDE4D 1938/4885 |
| US-20050288320-A1 | IMIDAZONAPHTHYRIDINES | IFNG, IRF3, IFNAR1 | HTR2A 3705/4885HTR2B 4345/4885PDE4D 1938/4885 |
| US-20050107421-A1 | Imidazonaphthyridines | IFNG, IRF3, IFNAR1 | HTR2A 3705/4885HTR2B 4345/4885PDE4D 1938/4885 |
| US-20030212093-A1 | Viricides, antitumor agents | IFNG, IFNAR1, MAVS | HTR2A 4032/4885HTR2B 4462/4885PDE4D 1093/4885 |
“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.