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 | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 1/20 | 0.50 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.50 |
| ▸ | ITGAL | P20701 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CTNNB1 | P35222 | 7/20 | 0.45 |
| ▸ | WNT3A | P56704 | 7/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CRHBP | P24387 | 2/20 | 0.44 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CLK1 | P49759 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.42 |
| ▸ | OXTR | P30559 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
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 SCHEMBL7527071 | 1.00 | ITGB2 (0.50) | ITGB2ICAM1ITGALTSHRCTNNB1 | |
| Water SCHEMBL28924788 | 0.98 | ITGB2 (0.48) | ITGB2ICAM1ITGALTSHRCTNNB1 | |
| Water SCHEMBL29063630 | 0.98 | ITGB2 (0.48) | ITGB2ICAM1ITGALTSHRCTNNB1 | |
| Water SCHEMBL4887943 | 0.98 | ITGB2 (0.48) | ITGB2ICAM1ITGALTSHRCTNNB1 | |
| Water SCHEMBL9277054 | 0.98 | ITGB2 (0.48) | ITGB2ICAM1ITGALTSHRCTNNB1 | |
| Water SCHEMBL10710386 | 0.98 | ITGB2 (0.48) | ITGB2ICAM1ITGALTSHRCTNNB1 | |
| Water SCHEMBL10710382 | 0.98 | ITGB2 (0.48) | ITGB2ICAM1ITGALTSHRCTNNB1 | |
| SCHEMBL8447 | 0.98 | ITGB2 (0.52) | ITGB2ICAM1ITGALTSHRCTNNB1 | |
| SCHEMBL29356442 | 0.98 | ITGB2 (0.52) | ITGB2ICAM1ITGALTSHRCTNNB1 | |
| SCHEMBL5313090 | 0.98 | ITGB2 (0.52) | ITGB2ICAM1ITGALTSHRCTNNB1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5629367-A | Method of making pigment concentrate particles and product of same | EASTMAN KODAK COMPANY (US) | 1997-05-13 | — | — | US | claimed |
| EP-3177287-B1 | ANTIDIABETIC BICYCLIC COMPOUNDS | MERCK SHARP & DOHME (US) | 2022-02-23 | — | — | EP | disclosed |
| US-10968193-B2 | Antidiabetic bicyclic compounds | MERCK SHARP & DOHME CORP. (US) | 2021-04-06 | — | — | US | disclosed |
| CN-108300181-A | A kind of powder slurry of stabilization and its preparation method and application | 广东伊诗德新材料科技有限公司 | 2018-07-20 | — | — | CN | disclosed |
| CN-107889487-A | Bicyclic tetrahydrothiazaaza derivatives for the treatment of tumors and/or infectious diseases | 阿派隆生物制剂股份公司 | 2018-04-06 | — | — | CN | disclosed |
| US-20170217918-A1 | ANTIDIABETIC BICYCLIC COMPOUNDS | MERCK SHARP & DOHME LLC | 2017-08-03 | — | — | US | disclosed |
| EP-3177287-A1 | ANTIDIABETIC BICYCLIC COMPOUNDS | Merck Sharp & Dohme Corp. (US) | 2017-06-14 | — | — | EP | disclosed |
| WO-2016022742-A1 | ANTIDIABETIC BICYCLIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2016-02-11 | — | — | WO | disclosed |
| CN-101443321-A | Substituted chromanol derivatives and uses thereof | BAYER HEALTHCARE AG (DE) | 2009-05-27 | — | — | CN | disclosed |
| EP-1128508-B1 | Metal member with chromate coat, spark plug with chromate coat and manufacturing methods thereof | NGK SPARK PLUG CO (JP) | 2007-06-13 | — | — | EP | disclosed |
| US-20030137032-A1 | Pre-finished leadframe for semiconductor devices and method fo fabrication | ABBOTT DONALD C (US) | 2003-07-24 | — | — | US | disclosed |
| US-6545342-B1 | Pre-finished leadframe for semiconductor devices and method of fabrication | TEXAS INSTRUMENTS INCORPORATED | 2003-04-08 | — | — | US | disclosed |
| US-6538365-B2 | Metal member with chromate coat, spark plug with chromate coat and manufacturing methods thereof | NGK SPARK PLUG CO., LTD. (JP) | 2003-03-25 | — | — | US | disclosed |
| US-20010050522-A1 | Metal member with chromate coat, spark plug with chromate coat and manufacturing methods thereof | NGK SPARK PLUG CO., LTD (JP) | 2001-12-13 | — | — | US | disclosed |
| EP-1128508-A2 | Metal member with chromate coat, spark plug with chromate coat and manufacturing methods thereof | NGK SPARK PLUG CO., LTD (JP) | 2001-08-29 | — | — | EP | disclosed |
| US-5629367-A | Method of making pigment concentrate particles and product of same | EASTMAN KODAK COMPANY (US) | 1997-05-13 | — | — | US | disclosed |
| CN-1090282-A | The cycloalkyl that benzenefused, hydroxy replaces and the sulfone amide derivative of heterogeneous ring compound | PFIZER (US) | 1994-08-03 | — | — | CN | disclosed |
| US-3993841-A | BONDABLE WITH POLYAMIDE ADHESIVE | TOAGOSEI CHEMICAL INDUSTRY CO., LTD. (JA) | 1976-11-23 | — | — | US | disclosed |
| US-3936342-A | EPOXY RESIN, THERMOSETTING PHENOLIC RESIN | TOAGOSEI CHEMICAL INDUSTRY CO., LTD. (JA) | 1976-02-03 | — | — | 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 (2 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-10968193-B2 | Antidiabetic bicyclic compounds | GPR119, GPR65, GLP1R | ITGB2 3893/4885ICAM1 4150/4885ITGAL 4393/4885 |
| US-20170217918-A1 | ANTIDIABETIC BICYCLIC COMPOUNDS | GPR119, GLP1R, GPR65 | ITGB2 3998/4885ICAM1 4183/4885ITGAL 4437/4885 |
“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.