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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 9/20 | 0.76 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.75 |
| ▸ | TGFBR1 | P36897 | 20/20 | 0.78 |
| ▸ | MAPK14 | Q16539 | 8/20 | 0.76 |
| ▸ | TGFBR2 | P37173 | 3/20 | 0.75 |
| ▸ | GAK | O14976 | 1/20 | 0.75 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.75 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.75 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.75 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.75 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.75 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.75 |
| ▸ | TGFB2 | P61812 | 1/20 | 0.75 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.75 |
| ▸ | COQ8A | Q8NI60 | 1/20 | 0.75 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.75 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.75 |
| ▸ | MAP3K20 | Q9NYL2 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL1027982 | 0.99 | TGFBR1 (0.80) | TGFBR1THRBMAPK14TGFBR2GAK | |
| SCHEMBL413323 | 0.92 | TGFBR1 (0.80) | TGFBR1THRBMAPK14TGFBR2GAK | |
| SCHEMBL12922146 | 0.90 | TGFBR1 (0.82) | TGFBR1THRBMAPK14TGFBR2GAK | |
| SCHEMBL23852042 | 0.88 | TGFBR1 (0.80) | TGFBR1THRBMAPK14TGFBR2GAK | |
| SCHEMBL373523 | 0.88 | TGFBR1 (1.00) | TGFBR1THRBMAPK14TGFBR2GAK | |
| SCHEMBL31461245 | 0.88 | TGFBR1 (0.80) | TGFBR1THRBMAPK14TGFBR2GAK | |
| SCHEMBL31461242 | 0.88 | TGFBR1 (1.00) | TGFBR1THRBMAPK14TGFBR2GAK | |
| SCHEMBL5240012 | 0.88 | TGFBR1 (0.80) | TGFBR1THRBMAPK14TGFBR2GAK | |
| SCHEMBL982805 | 0.87 | TGFBR1 (0.76) | TGFBR1THRBMAPK14TGFBR2GAK | |
| Galunisertib SCHEMBL29438525 | 0.87 | TGFBR1 (0.98) | TGFBR1THRBMAPK14TGFBR2GAK |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1910370-B1 | A PYRIDIN QUINOLIN SUBSTITUTED PYRROLO [1,2-B] PYRAZOLE MONOHYDRATE AS TGF-BETA INHIBITOR | LILLY CO ELI (US) | 2015-04-22 | — | — | EP | claimed |
| US-7872020-B2 | TGF-β inhibitors | ELI LILLY AND COMPANY (US) | 2011-01-18 | — | — | US | claimed |
| US-20100120854-A1 | TGF-BETA INHIBITORS | ELI LILLY AND COMPANY (US) | 2010-05-13 | — | — | US | claimed |
| EP-1910370-A1 | A PYRIDIN QUINOLIN SUBSTITUTED PYRROLO [1,2-B] PYRAZOLE MONOHYDRATE AS TGF-BETA INHIBITOR | ELI LILLY AND COMPANY (US) | 2008-04-16 | — | — | EP | claimed |
| WO-2007018818-A1 | A PYRIDIN QUINOLIN SUBSTITUTED PYRROLO [1,2-B] PYRAZOLE MONOHYDRATE AS TGF-BETA INHIBITOR | ELI LILLY AND COMPANY (US) | 2007-02-15 | — | — | WO | claimed |
| EP-1910370-B1 | A PYRIDIN QUINOLIN SUBSTITUTED PYRROLO [1,2-B] PYRAZOLE MONOHYDRATE AS TGF-BETA INHIBITOR | LILLY CO ELI (US) | 2015-04-22 | — | — | EP | disclosed |
| WO-2014191559-A1 | METHODS AND KITS FOR THE PROGNOSIS OF COLORECTAL CANCER | INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS (ES) | 2014-12-04 | — | — | WO | disclosed |
| US-7872020-B2 | TGF-β inhibitors | ELI LILLY AND COMPANY (US) | 2011-01-18 | — | — | US | disclosed |
| US-7872020-B2 | TGF-β inhibitors | ELI LILLY AND COMPANY (US) | 2011-01-18 | — | — | US | disclosed |
| US-20100120854-A1 | TGF-BETA INHIBITORS | ELI LILLY AND COMPANY (US) | 2010-05-13 | — | — | US | disclosed |
| US-20100120854-A1 | TGF-BETA INHIBITORS | ELI LILLY AND COMPANY (US) | 2010-05-13 | — | — | US | disclosed |
| EP-1910370-A1 | A PYRIDIN QUINOLIN SUBSTITUTED PYRROLO [1,2-B] PYRAZOLE MONOHYDRATE AS TGF-BETA INHIBITOR | ELI LILLY AND COMPANY (US) | 2008-04-16 | — | — | EP | disclosed |
| EP-1910370-A1 | A PYRIDIN QUINOLIN SUBSTITUTED PYRROLO [1,2-B] PYRAZOLE MONOHYDRATE AS TGF-BETA INHIBITOR | ELI LILLY AND COMPANY (US) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007018818-A1 | A PYRIDIN QUINOLIN SUBSTITUTED PYRROLO [1,2-B] PYRAZOLE MONOHYDRATE AS TGF-BETA INHIBITOR | ELI LILLY AND COMPANY (US) | 2007-02-15 | — | — | WO | disclosed |
| WO-2007018818-A1 | A PYRIDIN QUINOLIN SUBSTITUTED PYRROLO [1,2-B] PYRAZOLE MONOHYDRATE AS TGF-BETA INHIBITOR | ELI LILLY AND COMPANY (US) | 2007-02-15 | — | — | 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 (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-20100120854-A1 | TGF-BETA INHIBITORS | TGFBR1, TGFBR2, SMAD3 | THRB 287/4885KDR 525/4885TGFBR1 1/4885 |
“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.