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 | 3/20 | 0.44 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | PRKDC | P78527 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | VCP | P55072 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29800558 | 0.69 | ALDH1A1 (0.68) | ALDH1A1CYP3A4KDM4EMAPTALOX15 | |
| SCHEMBL210330 | 0.69 | ALDH1A1 (0.68) | ALDH1A1CYP3A4KDM4EMAPTALOX15 | |
| Bromide SCHEMBL5964709 | 0.67 | POLB (0.48) | MEN1KMT2AALDH1A1KDM4EMAPT | |
| SCHEMBL2087809 | 0.65 | ALDH1A1 (0.63) | ALDH1A1CYP3A4KDM4EMAPTALOX15 | |
| SCHEMBL30886746 | 0.65 | MAPT (0.47) | MEN1KMT2AALDH1A1CYP3A4KDM4E | |
| SCHEMBL10778338 | 0.64 | ALDH1A1 (0.62) | ALDH1A1CYP3A4KDM4EMAPTALOX15 | |
| SCHEMBL18287893 | 0.62 | CYP3A4 (0.50) | ALDH1A1CYP3A4MAPTTSHR | |
| SCHEMBL29441283 | 0.62 | HTT (0.72) | MEN1KMT2AALDH1A1CYP3A4MAPT | |
| SCHEMBL28545738 | 0.62 | ALDH1A1 (0.59) | ALDH1A1CYP3A4KDM4EMAPTALOX15 | |
| SCHEMBL527567 | 0.62 | HTT (0.72) | MEN1KMT2AALDH1A1CYP3A4MAPT |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1687267-B1 | MODIFIED MSCL PROTEIN CHANNEL | APPLIED NANOSYSTEMS BV (NL) | 2011-10-05 | — | — | EP | disclosed |
| US-7608582-B2 | Delivery vehicle comprising a modified MscL protein channel | APPLIED NANOSYSTEMS B.V. (NL) | 2009-10-27 | — | — | US | disclosed |
| US-7393828-B2 | Modified MscL protein channel | APPLIED NANOSYSTEMS B.V. (NL) | 2008-07-01 | — | — | US | disclosed |
| US-20080138401-A1 | Delivery vehicle comprising a modified MscL protein channel | APPLIED NANOSYSTEMS B.V. (NL) | 2008-06-12 | — | — | US | disclosed |
| US-20060258587-A1 | Modified MscL protein channel | APPLIED NANOSYSTEMS B.V. (NL) | 2006-11-16 | — | — | US | disclosed |
| EP-1687267-A2 | MODIFIED MSCL PROTEIN CHANNEL | Applied NanoSystems B.V. (NL) | 2006-08-09 | — | — | EP | disclosed |
| WO-2005051902-A2 | MODIFIED MscL PROTEIN CHANNEL | APPLIED NANOSYSTEMS B.V. (NL) | 2005-06-09 | — | — | WO | disclosed |
| US-6147212-A | PROLINE-NAPHTHYLALANINE DIPEPTIDE AMIDATED WITH AN ACYL DERIVATIVE ON THE N-TERMINUS AND A 4-PHENYL-1-PIPERAZINYL DERIVATIVE ON THE CARBOXYL TERMINUS; NEUROKININ (TACHYKININ) ANTAGONIST | BOEHRINGER INGELHEIM KG (DE) | 2000-11-14 | — | — | US | disclosed |
| US-5849918-A | Amino acid derivatives, processes for the manufacture thereof and pharmaceutical compositions containing these compounds | BOEHRINGER INGELHEIM KG (DE) | 1998-12-15 | — | — | US | disclosed |
| US-5596000-A | NEUROKININ ANTAGONISTS | BOEHRINGER INGELHEIM KG (DE) | 1997-01-21 | — | — | 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-20080138401-A1 | Delivery vehicle comprising a modified MscL protein channel | TRPM6, TRPM2, TRPM7 | MEN1 600/4885PTGS2 2163/4885KMT2A 4108/4885 |
| US-20060258587-A1 | Modified MscL protein channel | TRPC6, TRPM6, TRPC4 | MEN1 475/4885PTGS2 1357/4885KMT2A 4180/4885 |
“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.