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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL6763348 | 1.00 | LMNA (0.37) | LMNACA2ALDH1A1POLBSMN1; SMN2 | |
| Water SCHEMBL7929821 | 1.00 | LMNA (0.37) | LMNACA2ALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL112469 | 0.97 | — | — | |
| Trifluoroacetic Acid SCHEMBL630048 | 0.88 | LMNA (0.40) | LMNACA2ALDH1A1 | |
| SCHEMBL7211526 | 0.78 | EPHX1 (0.31) | — | |
| SCHEMBL6908016 | 0.75 | — | — | |
| SCHEMBL5860710 | 0.75 | — | — | |
| SCHEMBL7934605 | 0.75 | — | — | |
| SCHEMBL11635042 | 0.73 | — | — | |
| SCHEMBL6510412 | 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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210332040-A1 | SUBSTITUTED 4-AMINO-1H-IMIDAZO[4,5-c]QUINOLINE COMPOUNDS AND IMPROVED METHODS FOR THEIR PREPARATION | INNATE TUMOR IMMUNITY INC (US) | 2021-10-28 | — | — | US | claimed |
| CN-112888677-A | Substituted 4-amino-1H-imidazo [4,5-c ] quinoline compounds and improved process for their preparation | 先天肿瘤免疫公司 | 2021-06-01 | — | — | CN | claimed |
| US-11827597-B2 | Substituted 4-amino-1H-imidazo[4,5-c]quinoline compounds and improved methods for their preparation | INNATE TUMOR IMMUNITY, INC. (US) | 2023-11-28 | — | — | US | disclosed |
| US-20230097144-A1 | SUBSTITUTED 4-AMINO-1H-IMIDAZO[4,5-c]QUINOLINE COMPOUNDS AND IMPROVED METHODS FOR THEIR PREPARATION | INNATE TUMOR IMMUNITY INC (US) | 2023-03-30 | — | — | US | disclosed |
| US-11572360-B2 | Substituted 4-amino-1H-imidazo[4,5-c]quinoline compounds and improved methods for their preparation | INNATE TUMOR IMMUNITY, INC. (US) | 2023-02-07 | — | — | US | disclosed |
| US-20210332040-A1 | SUBSTITUTED 4-AMINO-1H-IMIDAZO[4,5-c]QUINOLINE COMPOUNDS AND IMPROVED METHODS FOR THEIR PREPARATION | INNATE TUMOR IMMUNITY INC (US) | 2021-10-28 | — | — | US | disclosed |
| EP-3837245-A1 | SUBSTITUED 4-AMINO-1H-IMIDAZO[4,5-C]QUINOLINE COMPOUNDS AND IMPROVED METHODS FOR THEIR PREPARATION | Innate Tumor Immunity, Inc. (US) | 2021-06-23 | — | — | EP | disclosed |
| CN-112888677-A | Substituted 4-amino-1H-imidazo [4,5-c ] quinoline compounds and improved process for their preparation | 先天肿瘤免疫公司 | 2021-06-01 | — | — | CN | disclosed |
| WO-2020037094-A1 | SUBSTITUED 4-AMINO-1H-IMIDAZO[4,5-C]QUINOLINE COMPOUNDS AND IMPROVED METHODS FOR THEIR PREPARATION | INNATE TUMOR IMMUNITY, INC. (US) | 2020-02-20 | — | — | WO | disclosed |
| US-7459452-B2 | Dihydroxypyrimidine carboxamide inhibitors of HIV integrase | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2008-12-02 | — | — | US | disclosed |
| US-7232819-B2 | Dihydroxypyrimidine carboxamide inhibitors of HIV integrase | ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) | 2007-06-19 | — | — | US | disclosed |
| US-20070083045-A1 | Dihydroxypyrimidine carboxamide inhibitors of HIV integrase | DI FRANCESCO MARIA E | 2007-04-12 | — | — | US | disclosed |
| EP-1441734-B1 | DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE | ANGELETTI P IST RICHERCHE BIO (IT) | 2007-02-28 | — | — | EP | disclosed |
| US-20050075356-A1 | Dihydroxypyrimidine carboxamide inhibitors of hiv integrase | ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2005-04-07 | — | — | US | disclosed |
| EP-1441734-A1 | DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE | Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003035076-A1 | DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2003-05-01 | — | — | 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 (6 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-20050075356-A1 | Dihydroxypyrimidine carboxamide inhibitors of hiv integrase | DUT, DPYD, TYMP | LMNA 4057/4885CA2 3059/4885ALDH1A1 1079/4885 |
| US-20230097144-A1 | SUBSTITUTED 4-AMINO-1H-IMIDAZO[4,5-c]QUINOLINE COMPOUNDS AND IMPROVED METHODS FOR THEIR PREPARATION | NLRP3, NOD1, NLRP1 | LMNA 331/4885CA2 3632/4885ALDH1A1 3065/4885 |
| US-20070083045-A1 | Dihydroxypyrimidine carboxamide inhibitors of HIV integrase | DUT, DPYD, TYMP | LMNA 4198/4885CA2 2871/4885ALDH1A1 1116/4885 |
| US-11827597-B2 | Substituted 4-amino-1H-imidazo[4,5-c]quinoline compounds and improved methods for their preparation | NLRP3, NOD1, NLRP1 | LMNA 331/4885CA2 3632/4885ALDH1A1 3065/4885 |
| US-11572360-B2 | Substituted 4-amino-1H-imidazo[4,5-c]quinoline compounds and improved methods for their preparation | NLRP3, NOD1, NLRP1 | LMNA 331/4885CA2 3632/4885ALDH1A1 3065/4885 |
| US-20210332040-A1 | SUBSTITUTED 4-AMINO-1H-IMIDAZO[4,5-c]QUINOLINE COMPOUNDS AND IMPROVED METHODS FOR THEIR PREPARATION | NLRP3, NOD1, NLRP1 | LMNA 331/4885CA2 3632/4885ALDH1A1 3065/4885 |
“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.