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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.48 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.48 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.48 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.48 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.48 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.48 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.48 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 6/20 | 0.50 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.48 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11598812 | 0.79 | CYSLTR2 (0.50) | PPARGCYSLTR2CYSLTR1LMNAMEN1 | |
| SCHEMBL5482450 | 0.78 | CYP1A2 (0.50) | PPARGCYSLTR2CYSLTR1LMNAMEN1 | |
| SCHEMBL9214705 | 0.78 | LMNA (0.61) | PPARGCYSLTR2CYSLTR1LMNAMEN1 | |
| SCHEMBL11605622 | 0.78 | PPARG (0.60) | PPARGCYSLTR2CYSLTR1LMNAMEN1 | |
| SCHEMBL28356201 | 0.76 | CYSLTR2 (0.53) | PPARGCYSLTR2CYSLTR1LMNAMEN1 | |
| SCHEMBL9414549 | 0.75 | CYSLTR2 (0.52) | PPARGCYSLTR2CYSLTR1LMNAMEN1 | |
| SCHEMBL8798050 | 0.75 | PPARG (0.54) | PPARGCYSLTR2CYSLTR1LMNAMEN1 | |
| SCHEMBL29033404 | 0.75 | PPARG (0.58) | PPARGCYSLTR2CYSLTR1LMNAMEN1 | |
| SCHEMBL2859001 | 0.75 | LMNA (0.62) | CYSLTR2CYSLTR1LMNAMEN1NR1I2 | |
| SCHEMBL2245919 | 0.75 | LMNA (0.62) | CYSLTR2CYSLTR1LMNAMEN1NR1I2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210163476-A1 | IMIDAZOQUINOLYL COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY | PHARMA CINQ, LLC | 2021-06-03 | — | — | US | disclosed |
| US-10934284-B2 | Aminoquinazoline compounds having anti-inflammatory, antifungal, antiparasitic, and anticancer activity | WELLSTAT THERAPEUTICS CORPORATION (US) | 2021-03-02 | — | — | US | disclosed |
| EP-3632426-A1 | AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC AND ANTICANCER ACTIVITY | Wellstat Therapeutics Corporation (US) | 2020-04-08 | — | — | EP | disclosed |
| US-20190194193-A1 | AMINOQUINAZOLINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY | PHARMA CINQ, LLC | 2019-06-27 | — | — | US | disclosed |
| US-20180298000-A1 | AMINOQUINOLINE COMPOUNDS HAVING ANTICANCER ACTIVITY | PHARMA CINQ, LLC | 2018-10-18 | — | — | US | disclosed |
| US-20150361077-A1 | AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY | PHARMA CINQ, LLC | 2015-12-17 | — | — | US | disclosed |
| EP-2950649-A2 | AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC AND ANTICANCER ACTIVITY | Wellstat Therapeutics Corporation (US) | 2015-12-09 | — | — | EP | disclosed |
| WO-2014120995-A2 | AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC AND ANTICANCER ACTIVITY | WELLSTAT THERAPEUTICS CORPORATION (US) | 2014-08-07 | — | — | 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-20210163476-A1 | IMIDAZOQUINOLYL COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY | NOD1, NLRP3, AADAC | MEN1 1439/4885CHRM2 4372/4885ADRA2A 2961/4885 |
| US-20180298000-A1 | AMINOQUINOLINE COMPOUNDS HAVING ANTICANCER ACTIVITY | MYC, AAAS, ASNS | MEN1 445/4885CHRM2 4041/4885ADRA2A 2730/4885 |
| US-20190194193-A1 | AMINOQUINAZOLINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY | AAAS, AADAC, NFKBIA | MEN1 992/4885CHRM2 4050/4885ADRA2A 2471/4885 |
| US-20150361077-A1 | AMINE COMPOUNDS HAVING ANTI-INFLAMMATORY, ANTIFUNGAL, ANTIPARASITIC, AND ANTICANCER ACTIVITY | AADAC, CASP1, AAAS | MEN1 395/4885CHRM2 2769/4885ADRA2A 1647/4885 |
| US-10934284-B2 | Aminoquinazoline compounds having anti-inflammatory, antifungal, antiparasitic, and anticancer activity | AAAS, AADAC, NFKBIA | MEN1 992/4885CHRM2 4050/4885ADRA2A 2471/4885 |
“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.