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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.96 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.96 |
| ▸ | CRHBP | P24387 | 1/20 | 0.50 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | S100A4 | P26447 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | PTPRC | P08575 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MGAM | O43451 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SI | P14410 | 1/20 | 0.46 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
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 SCHEMBL1828402 | 1.00 | ALDH1A1 (0.96) | ALDH1A1TDP1CRHBPCRHR2PTPN1 | |
| SCHEMBL30196067 | 0.98 | ALDH1A1 (1.00) | ALDH1A1TDP1CRHBPCRHR2PTPN1 | |
| Benzene SCHEMBL28038982 | 0.98 | ALDH1A1 (1.00) | ALDH1A1TDP1CRHBPCRHR2PTPN1 | |
| SCHEMBL44392 | 0.98 | ALDH1A1 (1.00) | ALDH1A1TDP1CRHBPCRHR2PTPN1 | |
| Biphenyl SCHEMBL7209601 | 0.96 | ALDH1A1 (0.96) | ALDH1A1TDP1CRHBPCRHR2PTPN1 | |
| Methane SCHEMBL2186810 | 0.96 | ALDH1A1 (0.96) | ALDH1A1TDP1CRHBPCRHR2PTPN1 | |
| Hydrogen Sulfide SCHEMBL9671158 | 0.96 | ALDH1A1 (0.96) | ALDH1A1TDP1CRHBPCRHR2PTPN1 | |
| SCHEMBL29180134 | 0.94 | ALDH1A1 (0.92) | ALDH1A1TDP1CRHBPCRHR2PTPN1 | |
| SCHEMBL2958562 | 0.94 | ALDH1A1 (0.92) | ALDH1A1TDP1CRHBPCRHR2PTPN1 | |
| Formaldehyde SCHEMBL28138834 | 0.94 | ALDH1A1 (0.92) | ALDH1A1TDP1CRHBPCRHR2PTPN1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2512525-B1 | NOVEL ARYLOXYANILIDE IMAGING AGENTS | GE HEALTHCARE LTD (GB) | 2017-06-14 | — | — | EP | disclosed |
| US-9186424-B2 | Aryloxyanilide imaging agents | GE HEALTHCARE LIMITED (GB) | 2015-11-17 | — | — | US | disclosed |
| US-20140288317-A1 | ARYLOXYANILIDE IMAGING AGENTS | GE HEALTHCARE LIMITED (GB) | 2014-09-25 | — | — | US | disclosed |
| US-8771641-B2 | Aryloxyanilide imaging agents | GE HEALTHCARE LIMITED (GB) | 2014-07-08 | — | — | US | disclosed |
| EP-2512525-A1 | ARYLOXYANILIDE IMAGING AGENTS | GE Healthcare UK Limited (GB) | 2012-10-24 | — | — | EP | disclosed |
| US-20120244073-A1 | ARYLOXYANILIDE IMAGING AGENTS | GE HEALTHCARE LIMITED (GB) | 2012-09-27 | — | — | US | disclosed |
| WO-2011073304-A1 | ARYLOXYANILIDE IMAGING AGENTS | GE HEALTHCARE LIMITED (GB) | 2011-06-23 | — | — | WO | disclosed |
| US-20070299115-A1 | (Hetero)Cyclyl(Thio) Carboxylic Acid Anilides For Controlling Pathogenic Fungi | BASF AKTIENGESELLSCHAFT (DE) | 2007-12-27 | — | — | 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 (3 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-20120244073-A1 | ARYLOXYANILIDE IMAGING AGENTS | CNR1, GABRA4, GABBR1 | MEN1 3371/4885ALDH1A1 2342/4885TDP1 2560/4885 |
| US-20140288317-A1 | ARYLOXYANILIDE IMAGING AGENTS | GABRA4, GABBR1, CNR1 | MEN1 3436/4885ALDH1A1 2742/4885TDP1 2924/4885 |
| US-20070299115-A1 | (Hetero)Cyclyl(Thio) Carboxylic Acid Anilides For Controlling Pathogenic Fungi | CBR3, TST, HAO2 | MEN1 4497/4885ALDH1A1 1792/4885TDP1 4298/4885 |
“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.