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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2A known ✓ | Q12879 | 5/20 | 0.47 |
| ▸ | GRIK1 known ✓ | P39086 | 1/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 5/20 | 0.47 |
| ▸ | GRIN3B | O60391 | 5/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 5/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.47 |
| ▸ | GRIN2C | Q14957 | 5/20 | 0.47 |
| ▸ | GRIN3A | Q8TCU5 | 5/20 | 0.47 |
| ▸ | SLC1A3 | P43003 | 3/20 | 0.47 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.47 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.47 |
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 SCHEMBL29155398 | 1.00 | GRIN2D (0.47) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL5980862 | 0.98 | GRIN2D (0.49) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL2651847 | 0.98 | GRIN2D (0.49) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL5605868 | 0.98 | GRIN2D (0.49) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL2652715 | 0.98 | GRIN2D (0.49) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL123134 | 0.98 | GRIN2D (0.49) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL43515 | 0.98 | GRIN2D (0.49) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL503347 | 0.98 | GRIN2D (0.49) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Hydrochloric Acid SCHEMBL2654442 | 0.96 | GRIN2D (0.47) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Hydrochloric Acid SCHEMBL971795 | 0.96 | GRIN2D (0.47) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9962391-B2 | Composition and method for compounded therapy | CMPD LICENSING, LLC (US) | 2018-05-08 | — | — | US | disclosed |
| US-20170136028-A1 | COMPOSITION AND METHOD FOR COMPOUNDED THERAPY | CMPD LICENSING, LLC (US) | 2017-05-18 | — | — | US | disclosed |
| US-8697705-B2 | Isoindolinone derivatives | HOFFMANN-LA ROCHE INC. (US) | 2014-04-15 | — | — | US | disclosed |
| EP-2705033-A1 | ISOINDOLINONE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2014-03-12 | — | — | EP | disclosed |
| US-20130296339-A1 | ISOINDOLINONE DERIVATIVES | HOFFMANN LA ROCHE (US) | 2013-11-07 | — | — | US | disclosed |
| US-8470866-B2 | Isoindolinone derivatives | HOFFMANN-LA ROCHE INC. (US) | 2013-06-25 | — | — | US | disclosed |
| WO-2012150202-A1 | ISOINDOLINONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-11-08 | — | — | WO | disclosed |
| US-20120283271-A1 | ISOINDOLINONE DERIVATIVES | BERTHEL STEVEN JOSEPH (US) | 2012-11-08 | — | — | US | disclosed |
| US-20090247471-A1 | INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | AMURA THERAPEUTICS LTD. (GB) | 2009-10-01 | — | — | US | disclosed |
| US-7425562-B2 | Inhibitors of cruzipain and other cysteine proteases | AMURA THERAPEUTICS LTD. (GB) | 2008-09-16 | — | — | US | disclosed |
| EP-1358174-A2 | INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | Amura Therapeutics Limited (GB) | 2003-11-05 | — | — | EP | disclosed |
| EP-1358176-A2 | INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | Amura Therapeutics Limited (GB) | 2003-11-05 | — | — | EP | disclosed |
| EP-1349856-A2 | ISOINDOLIN-1-ONE GLUCOKINASE ACTIVATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-10-08 | — | — | EP | disclosed |
| US-6482951-B2 | ISOINDOLIN-1-ONE-SUBSTITUTED PROPIONAMIDE GLUCOKINASE ACTIVATORS WHICH INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES | HOFFMANN-LA ROCHE INC. | 2002-11-19 | — | — | US | disclosed |
| WO-2002057248-A2 | INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | AMURA THERAPEUTICS LIMITED (GB) | 2002-07-25 | — | — | WO | disclosed |
| WO-2002057246-A2 | INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | AMURA THERAPEUTICS LIMITED (GB) | 2002-07-25 | — | — | WO | disclosed |
| WO-2002057270-A1 | INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | AMURA THERAPEUTICS LIMITED (GB) | 2002-07-25 | — | — | WO | disclosed |
| WO-2002057249-A1 | CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | AMURA THERAPEUTICS LIMITED (GB) | 2002-07-25 | — | — | WO | disclosed |
| US-20020082260-A1 | Isoindolin-1-one glucokinase activators | GUERTIN KEVIN RICHARD (US) | 2002-06-27 | — | — | US | disclosed |
| WO-2002048106-A2 | ISOINDOLIN-1-ONE GLUCOKINASE ACTIVATORS | F. HOFFMANN-LA-ROCHE AG (CH) | 2002-06-20 | — | — | 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 (4 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-20020082260-A1 | Isoindolin-1-one glucokinase activators | GCKR, GCK, PGK2 | GRIN2A 1230/4885GRIK1 171/4885GRIN2D 2231/4885 |
| US-20120283271-A1 | ISOINDOLINONE DERIVATIVES | GCK, GCKR, PDK2 | GRIN2A 1538/4885GRIK1 502/4885GRIN2D 1318/4885 |
| US-20130296339-A1 | ISOINDOLINONE DERIVATIVES | GCK, GCKR, PDK2 | GRIN2A 1538/4885GRIK1 502/4885GRIN2D 1318/4885 |
| US-20090247471-A1 | INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | CPN1, CTRL, CPA1 | GRIN2A 4776/4885GRIK1 4746/4885GRIN2D 4832/4885 |
“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.