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 | |
|---|---|---|---|---|
| ▸ | MET known ✓ | P08581 | 17/20 | 0.69 |
| ▸ | KDR known ✓ | P35968 | 3/20 | 0.69 |
| ▸ | FLT3 known ✓ | P36888 | 2/20 | 0.69 |
| ▸ | JAK2 known ✓ | O60674 | 2/20 | 0.69 |
| ▸ | EGFR known ✓ | P00533 | 2/20 | 0.69 |
| ▸ | FLT1 known ✓ | P17948 | 2/20 | 0.69 |
| ▸ | FLT4 known ✓ | P35916 | 2/20 | 0.69 |
| ▸ | BTK known ✓ | Q06187 | 2/20 | 0.69 |
| ▸ | ROCK2 known ✓ | O75116 | 1/20 | 0.69 |
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.69 |
| ▸ | ERBB2 known ✓ | P04626 | 1/20 | 0.69 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.69 |
| ▸ | PDGFRB known ✓ | P09619 | 1/20 | 0.69 |
| ▸ | KIT known ✓ | P10721 | 1/20 | 0.69 |
| ▸ | BCR known ✓ | P11274 | 1/20 | 0.69 |
| ▸ | TYK2 known ✓ | P29597 | 1/20 | 0.69 |
| ▸ | SYK known ✓ | P43405 | 1/20 | 0.69 |
| ▸ | ERBB4 known ✓ | Q15303 | 1/20 | 0.69 |
| ▸ | CRBN known ✓ | Q96SW2 | 1/20 | 0.69 |
| ▸ | AXL | P30530 | 3/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL29885881 | 0.99 | MET (0.70) | METAXLKDRMST1RFLT3 | |
| SCHEMBL371805 | 0.99 | MET (0.70) | METAXLKDRMST1RFLT3 | |
| SCHEMBL409723 | 0.99 | MET (0.70) | METAXLKDRMST1RFLT3 | |
| SCHEMBL371886 | 0.93 | MET (0.61) | METAXLKDRMST1RFLT3 | |
| SCHEMBL411270 | 0.93 | MET (0.63) | METAXLKDRMST1RFLT3 | |
| SCHEMBL372071 | 0.92 | MET (0.73) | METAXLKDRMST1RFLT3 | |
| SCHEMBL372154 | 0.92 | MET (0.59) | METAXLKDRMST1RFLT3 | |
| SCHEMBL372079 | 0.91 | MET (0.58) | METAXLKDRMST1RFLT3 | |
| SCHEMBL371960 | 0.91 | MET (0.64) | METAXLKDRMST1RFLT3 | |
| SCHEMBL371626 | 0.91 | MET (0.63) | METAXLKDRMST1RFLT3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130143881-A1 | Hydrated Crystalline Forms of N-[3-fluoro-4-(oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | EXELIXIS, INC. (US) | 2013-06-06 | — | — | US | claimed |
| EP-2545038-A1 | HYDRATED CRYSTALLINE FORMS OF N-[3-FLUORO-4-({6-(METHYLOXY)-7-[(3-MORPHOLIN-4-YLPROPYL)OXY]-QUINOLIN-4-YL}OXY)PHENYL]-N'-(4-FLUOROPHENYL)CYCLOPROPANE-1,1-DICARBOXAMIDE | Exelixis, Inc. (US) | 2013-01-16 | — | — | EP | claimed |
| WO-2011112896-A1 | HYDRATED CRYSTALLINE FORMS OF N-[3-FLUORO-4-({6-(METHYLOXY)-7-[(3-MORPHOLIN-4-YLPROPYL)OXY]-QUINOLIN-4-YL}OXY)PHENYL]-N'-(4-FLUOROPHENYL)CYCLOPROPANE-1,1-DICARBOXAMIDE | EXELIXIS, INC (US) | 2011-09-15 | — | — | WO | claimed |
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-20130143881-A1 | Hydrated Crystalline Forms of N-[3-fluoro-4-(oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | TP53, CDC25A, CDC25C | MET 1453/4885KDR 2855/4885FLT3 1293/4885 |
“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.