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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 7/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | LMNA | P02545 | 4/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.59 |
| ▸ | HPGD | P15428 | 3/20 | 0.59 |
| ▸ | RECQL | P46063 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | TLR2 | O60603 | 1/20 | 0.43 |
| ▸ | ERN1 | O75460 | 1/20 | 0.43 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3043734 | 0.98 | MAPT (0.61) | MAPTKDM4EHSD17B10MAPK1ALDH1A1 | |
| SCHEMBL29700534 | 0.98 | MAPT (0.61) | MAPTKDM4EHSD17B10MAPK1ALDH1A1 | |
| SCHEMBL29405531 | 0.82 | MAPT (0.73) | MAPTKDM4EHSD17B10MAPK1ALDH1A1 | |
| SCHEMBL335038 | 0.82 | MAPT (0.73) | MAPTKDM4EHSD17B10MAPK1ALDH1A1 | |
| SCHEMBL5512898 | 0.82 | MAPT (0.58) | MAPTKDM4EHSD17B10MAPK1ALDH1A1 | |
| SCHEMBL3189109 | 0.82 | MAPT (0.72) | MAPTKDM4EHSD17B10MAPK1ALDH1A1 | |
| SCHEMBL29378830 | 0.82 | MAPT (0.72) | MAPTKDM4EHSD17B10MAPK1ALDH1A1 | |
| SCHEMBL14495075 | 0.81 | MAPT (0.51) | MAPTKDM4EHSD17B10MAPK1ALDH1A1 | |
| SCHEMBL6331318 | 0.81 | MAPT (0.49) | MAPTKDM4EHSD17B10MAPK1ALDH1A1 | |
| SCHEMBL21822828 | 0.81 | MAPT (0.49) | MAPTKDM4EHSD17B10MAPK1ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2565192-B9 | ANTICANCER AGENT | UNIV TOKYO (JP) | 2015-11-25 | — | — | EP | disclosed |
| US-9156827-B2 | Anticancer agent | THE UNIVERSITY OF TOKYO (JP) | 2015-10-13 | — | — | US | disclosed |
| EP-2565192-B1 | ANTICANCER AGENT | UNIV TOKYO (JP) | 2015-08-12 | — | — | EP | disclosed |
| US-20130102776-A1 | ANTICANCER AGENT | RIKEN (JP) | 2013-04-25 | — | — | US | disclosed |
| EP-2565192-A1 | ANTICANCER AGENT | The University of Tokyo (JP) | 2013-03-06 | — | — | EP | disclosed |
| US-20120296011-A1 | PHENOLIC COMPOUND, EPOXY RESIN, EPOXY RESIN COMPOSITION, PREPREG, AND CURED PRODUCT THEREOF | NIPPONKAYAKU KABUSHIKIKAISHA (JP) | 2012-11-22 | — | — | 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 (2 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-20130102776-A1 | ANTICANCER AGENT | PIM1, PIM3, PIM2 | MAPT 4754/4885KDM4E 540/4885HSD17B10 3728/4885 |
| US-20120296011-A1 | PHENOLIC COMPOUND, EPOXY RESIN, EPOXY RESIN COMPOSITION, PREPREG, AND CURED PRODUCT THEREOF | EGLN3, ESR1, EGLN2 | MAPT 4015/4885KDM4E 194/4885HSD17B10 981/4885 |
“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.