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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNK3 known ✓ | O14649 | 1/20 | 0.47 |
| ▸ | KCNK9 known ✓ | Q9NPC2 | 1/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.62 |
| ▸ | CTSD | P07339 | 1/20 | 0.53 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | STAT3 | P40763 | 1/20 | 0.50 |
| ▸ | AR | P10275 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29954715 | 0.98 | ABCG2 (0.64) | ABCG2CTSDGPR52ABCB1NPC1 | |
| SCHEMBL1697561 | 0.98 | ABCG2 (0.64) | ABCG2CTSDGPR52ABCB1NPC1 | |
| SCHEMBL11267816 | 0.88 | KMT2A (0.58) | ABCG2CTSDGPR52ABCB1NPC1 | |
| SCHEMBL31167606 | 0.84 | ABCG2 (0.77) | ABCG2CTSDGPR52ABCB1NPC1 | |
| SCHEMBL31561740 | 0.82 | ABCG2 (0.64) | ABCG2CTSDGPR52ABCB1NPC1 | |
| SCHEMBL7469828 | 0.82 | ABCG2 (0.64) | ABCG2CTSDGPR52ABCB1NPC1 | |
| SCHEMBL9178467 | 0.82 | ABCG2 (0.64) | ABCG2CTSDGPR52ABCB1NPC1 | |
| SCHEMBL6635025 | 0.81 | NPC1 (0.50) | ABCG2NPC1SMN1; SMN2HTTRAB9A | |
| SCHEMBL7936407 | 0.81 | TLR2 (0.56) | ABCG2NPC1SMN1; SMN2MAOBAR | |
| SCHEMBL7828569 | 0.81 | ABCG2 (0.62) | ABCG2CTSDGPR52ABCB1NPC1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116253733-A | Preparation method of drug intermediate imidazo [1,2-a ] pyridine compound | 南京欣久医药科技有限公司 | 2023-06-13 | — | — | CN | claimed |
| CN-112979523-B | Preparation method of chiral 1, 4-diphenyl-2-hydroxy-1, 4-dibutyl ketone compound | 中国科学技术大学 | 2024-05-28 | — | — | CN | disclosed |
| CN-116253733-A | Preparation method of drug intermediate imidazo [1,2-a ] pyridine compound | 南京欣久医药科技有限公司 | 2023-06-13 | — | — | CN | disclosed |
| CN-112979523-A | Preparation method of chiral 1, 4-diphenyl-2-hydroxy-1, 4-dibutanone compound | 中国科学技术大学 | 2021-06-18 | — | — | CN | disclosed |
| US-20100166765-A1 | BENZOQUINAZOLINE DERIVATIVES | NOVARTIS AG (CH) | 2010-07-01 | — | — | US | disclosed |
| EP-1917246-B1 | BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS | NOVARTIS AG (CH) | 2009-11-11 | — | — | EP | disclosed |
| EP-1917246-A1 | BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS | Novartis AG (CH) | 2008-05-07 | — | — | EP | disclosed |
| WO-2007020046-A1 | BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS | NOVARTIS AG (CH) | 2007-02-22 | — | — | WO | disclosed |
| US-4490392-A | Benzylalcohol derivative and process for preparing | TANABE SEIYAKU CO., LTD. (JP) | 1984-12-25 | — | — | US | disclosed |
| US-4486602-A | GLUCOSIDASE UNHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1984-12-04 | — | — | US | disclosed |
| EP-0049981-B1 | VALIENAMINE DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1984-07-25 | — | — | EP | disclosed |
| EP-0049981-A1 | Valienamine derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1982-04-21 | — | — | EP | disclosed |
| US-4276304-A | ANTIDIABETIC, ANTICOAGULANTS | TANABE SEIYAKU CO., LTD. (JP) | 1981-06-30 | — | — | US | disclosed |
| US-4131686-A | ANTIDIABETIC | TANABE SEIYAKU CO., LTD. (JP) | 1978-12-26 | — | — | 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 (1 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-20100166765-A1 | BENZOQUINAZOLINE DERIVATIVES | CACNA1A, BMP4, TPX2 | KCNK3 383/4885KCNK9 549/4885ABCG2 92/4885 |
“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.