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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPRA | P18433 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.35 |
| ▸ | KDM6B | O15054 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.30 |
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 SCHEMBL2000820 | 1.00 | PTPRA (0.49) | PTPRASMN1; SMN2OR51E2KDM6BCYP3A4 | |
| SCHEMBL1312465 | 0.98 | PTPRA (0.50) | PTPRASMN1; SMN2OR51E2KDM6BCYP3A4 | |
| SCHEMBL1312464 | 0.98 | PTPRA (0.50) | PTPRASMN1; SMN2OR51E2KDM6BCYP3A4 | |
| SCHEMBL7433498 | 0.83 | PTPRA (0.33) | PTPRACYP3A4SLC7A5 | |
| Imidazole SCHEMBL1241426 | 0.83 | PTPRA (0.41) | PTPRASMN1; SMN2 | |
| SCHEMBL3803098 | 0.82 | PTPRA (0.34) | PTPRA | |
| SCHEMBL8255199 | 0.82 | PTPRA (0.34) | PTPRA | |
| SCHEMBL16452409 | 0.82 | PTPRA (0.34) | PTPRA | |
| Histidine SCHEMBL3154312 | 0.81 | SLC7A5 (0.46) | CYP3A4SLC7A5 | |
| D-Histidine SCHEMBL7728732 | 0.81 | SLC7A5 (0.46) | CYP3A4SLC7A5 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7960349-B2 | N-terminally modified GLP-1 receptor modulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-06-14 | — | — | US | disclosed |
| US-20100022457-A1 | Sustained release glp-1 receptor modulators | BRISTOL-MYERS SQUIBB COMPANY | 2010-01-28 | — | — | US | disclosed |
| US-7534763-B2 | Sustained release GLP-1 receptor modulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-05-19 | — | — | US | disclosed |
| EP-2021014-A1 | SUSTAINED RELEASE GLP-1 RECEPTOR MODULATORS | Brystol-Myers Squibb Company (US) | 2009-02-11 | — | — | EP | disclosed |
| EP-2021354-A2 | N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS | Brystol-Myers Squibb Company (US) | 2009-02-11 | — | — | EP | disclosed |
| US-20080045461-A1 | N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY | 2008-02-21 | — | — | US | disclosed |
| EP-1883652-A2 | N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS | Bristol-Myers Squibb Company (US) | 2008-02-06 | — | — | EP | disclosed |
| WO-2007139589-A1 | SUSTAINED RELEASE GLP-1 RECEPTOR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-12-06 | — | — | WO | disclosed |
| WO-2007140284-A2 | N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-12-06 | — | — | WO | disclosed |
| US-20070099835-A1 | Sustained release GLP-1 receptor modulators | BRISTOL-MYERS SQUIBB COMPANY | 2007-05-03 | — | — | US | disclosed |
| US-20070021346-A1 | N-terminally modified GLP-1 receptor modulators | BRISTOL-MYERS SQUIBB COMPANY | 2007-01-25 | — | — | US | disclosed |
| WO-2006127948-A2 | N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-11-30 | — | — | 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-20070021346-A1 | N-terminally modified GLP-1 receptor modulators | GLP1R, GIPR, IAPP | PTPRA 1098/4885SMN1; SMN2 672/4885OR51E2 1350/4885 |
| US-20100022457-A1 | Sustained release glp-1 receptor modulators | GLP1R, GIPR, GRPR | PTPRA 1025/4885SMN1; SMN2 2911/4885OR51E2 1818/4885 |
| US-20080045461-A1 | N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS | GLP1R, GIPR, IAPP | PTPRA 1082/4885SMN1; SMN2 631/4885OR51E2 1457/4885 |
| US-20070099835-A1 | Sustained release GLP-1 receptor modulators | GLP1R, GIPR, GRPR | PTPRA 1025/4885SMN1; SMN2 2911/4885OR51E2 1818/4885 |
“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.