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 2)
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 | |
|---|---|---|---|---|
| SCHEMBL4892 | 0.95 | — | — | |
| SCHEMBL21680827 | 0.90 | — | — | |
| Lithium SCHEMBL29921052 | 0.90 | — | — | |
| Magnesium Chloride Anhydrous SCHEMBL28452074 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL3719693 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL23834950 | 0.90 | — | — | |
| Methyl Alcohol SCHEMBL28084859 | 0.86 | — | — | |
| Chlorolithium SCHEMBL16632033 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL17337320 | 0.82 | — | — | |
| Chlorolithium SCHEMBL28928073 | 0.82 | — | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103254190-B | Heteroaryl substituted pyrrolo-[2,3-b] pyridine and pyrrolo-[2,3-b] pyrimidine as Janus inhibitors of kinases | 因塞特控股公司 | 2016-12-07 | — | — | CN | disclosed |
| US-20150238506-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2015-08-27 | — | — | US | disclosed |
| US-9079907-B2 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-07-14 | — | — | US | disclosed |
| EP-2018863-B9 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL (JP) | 2015-02-18 | — | — | EP | disclosed |
| EP-2018863-B1 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL (JP) | 2014-08-13 | — | — | EP | disclosed |
| EP-2742936-A1 | Fused heterocyclic compound and use thereof | Takeda Pharmaceutical Company Limited (JP) | 2014-06-18 | — | — | EP | disclosed |
| EP-2727585-A1 | In-vivo screening method | Takeda Pharmaceutical Company Limited (JP) | 2014-05-07 | — | — | EP | disclosed |
| EP-1994015-B1 | DIBENZYL AMINE DERIVATIVES AS CETP INHIBITORS | PFIZER PROD INC (US) | 2013-04-24 | — | — | EP | disclosed |
| US-8383660-B2 | Dibenzyl amine compounds and derivatives | PFIZER INC. (US) | 2013-02-26 | — | — | US | disclosed |
| US-20120165312-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | SHIRAI JUNYA (JP) | 2012-06-28 | — | — | US | disclosed |
| EP-2018863-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-01-28 | — | — | EP | disclosed |
| EP-1994015-A1 | DIBENZYL AMINE DERIVATIVES AS CETP INHIBITORS | Pfizer Products Inc. (US) | 2008-11-26 | — | — | EP | disclosed |
| WO-2007105049-A1 | DIBENZYL AMINE DERIVATIVES AS CETP INHIBITORS | PFIZER PRODUCTS INC. (US) | 2007-09-20 | — | — | WO | disclosed |
| US-20070213314-A1 | Dibenzyl Amine Compounds and Derivatives | PFIZER INC | 2007-09-13 | — | — | US | disclosed |
| WO-2002012184-A1 | PROCESS FOR PREPARING ALPHA-AMINO ACIDS AND THEIR DERIVATIVES INCLUDING PHENYLALANINE AND HOMOPHENYLALANINE AND THEIR INTERMEDIATES | CHEMBIONEX CO., LTD. (KR) | 2002-02-14 | — | — | WO | disclosed |
| EP-0602794-B1 | Insecticidal N'-substituted-N, N'-diacylhydrazines | ROHM & HAAS (US) | 1999-04-21 | — | — | EP | disclosed |
| EP-0729934-A2 | A process for producing a 3-alkoxy-2-(substituted)benzoic acid or an ester thereof | ROHM AND HAAS COMPANY (US) | 1996-09-04 | — | — | EP | disclosed |
| EP-0729953-A2 | A process for producing a 2-substituted-3,4-fused heterocyclic benzoic acid | ROHM AND HAAS COMPANY (US) | 1996-09-04 | — | — | EP | disclosed |
| US-5530028-A | CONTROLS INSECTS OF THE ORDER LEPIDOPTERA | ROHM AND HAAS COMPANY (US) | 1996-06-25 | — | — | US | disclosed |
| EP-0602794-A2 | Insecticidal N'-substituted-N, N'-diacylhydrazines | ROHM AND HAAS COMPANY (US) | 1994-06-22 | — | — | EP | 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 (3 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-20120165312-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | HTR2C, HTR3C, HTR3B | ALDH1A1 822/4885TSHR 586/4885 |
| US-20070213314-A1 | Dibenzyl Amine Compounds and Derivatives | APOB, LDLR, CETP | ALDH1A1 1853/4885TSHR 1243/4885 |
| US-20150238506-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | HTR2C, HTR3C, HTR3B | ALDH1A1 822/4885TSHR 586/4885 |
“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.